- InChI
- InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
- InChI Key
- JEYCTXHKTXCGPB-UHFFFAOYSA-N
- Formula
- C16H14N2O
- SMILES
- Cc1ccccc1-n1c(C)nc2ccccc2c1=O
- Molecular Weight1
- 250.30
- CAS
- 72-44-6
- Other Names
-
- (+/-)-Methaqualone
- 2-Methyl-3-(2-methylphenyl)-4(3H)-quinazolinone
- 2-Methyl-3-(2-methylphenyl)-4-quinazolinone
- 2-Methyl-3-(2-tolyl)quinazol-4-one
- 2-Methyl-3-(o-tolyl)-3,4-dihydro-4-quinazolinone
- 2-Methyl-3-o-tolyl-4(3H)-chinazolinon
- 2-Methyl-3-o-tolyl-4(3H)-chinazolone
- 2-Methyl-3-o-tolyl-4(3H)-quinazolinone
- 2-Methyl-3-o-tolyl-4-quinazolone
- 2-Methyl-3-o-tolylquinazolin-4-one
- 2-Methyl-3-tolyl-4-oxybensdiazine
- 3,4-Dihydro-2-methyl-4-oxo-3-o-tolylquinazoline
- 4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-
- 4(3H)-Quinazolinone, 2-methyl-3-o-tolyl-
- Aqual
- CI 705
- CN 38703
- Cateudyl
- Citexal
- Dormigoa
- Dormigoa-Schlafmittel
- Dormogen
- Dormutil
- Dorsedin
- Fadormir
- Holodorm
- Hyminal
- Hypcol
- Hypocol
- Hyptor
- Hyptor base
- Ipnofil
- MAOA
- MTQ
- Melsed
- Melsedin base
- Melsomin
- Mequin
- Metachalon
- Metakvalon
- Metaqualon
- Methaqualon
- Methaqualoneinone
- Methased
- Metolquizolone
- Mollinox
- Motolon
- Mozambin
- Nethaqualone
- Nobedorm
- Noctilene
- Normi-nox
- Omnyl
- Optinoxan
- Orthonal
- Ortonal
- Parest
- Parminal
- Pro-dorm
- QZ 2
- Qu.lovin.a.lovin.alude
- Qua.hivin.a.hivin.lude
- Quaalude
- R-148
- RIC 272
- Revonal
- Rorer 148
- Rorer 714
- Roulone
- Rouqualone
- Sindesvel
- Somberol
- Somnafac
- Somnomed
- Sonal
- Sopor
- Soverin
- TR 495
- Torinal
- Tuazol
- Tuazole
- Tuazolone
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6140 | Relay (1.0) Calculated Property | |
| ΔfG° | 281.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 95.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.92; -2.92] |
|
|
| log10WS | -2.92 | Aq. Solubility Prediction | |
| log10WS | -2.92 | Estimated Solubility | |
| logPoct/wat | 3.003 | Crippen Calculated Property | |
| McVol | 195.150 | ml/mol | McGowan Calculated Property |
| Pc | 2735.43 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2094.00; 2180.00] |
|
|
| Inp | 2125.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2129.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Inp | 2127.00 | NIST | |
| Inp | 2162.00 | NIST | |
| Inp | 2155.00 | NIST | |
| Inp | 2142.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Inp | Outlier 2165.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2158.00 | NIST | |
| Inp | Outlier 2094.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2133.00 | NIST | |
| Inp | 2103.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Inp | 2119.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2132.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Inp | 2109.00 | NIST | |
| Inp | 2119.00 | NIST | |
| Inp | Outlier 2096.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Inp | Outlier 2165.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2119.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Inp | Outlier 2180.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2130.00 | NIST | |
| Inp | 2127.00 | NIST | |
| I | 3227.00 | NIST | |
| Tboil | 660.91 | K | Relay (1.0) Calculated Property |
| Tc | 979.26 | K | Relay (1.0) Calculated Property |
| Tfus | 389.65 | K | Aq. Solubility Prediction |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methaqualone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
property mean.