Chemical Properties of 4(1H)-Quinazolinone, 2-methyl-

InChI

InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)

InChI Key

FIEYHAAMDAPVCH-UHFFFAOYSA-N

Formula

C9H8N2O

SMILES

Cc1nc(=O)c2ccccc2[nH]1

Molecular Weight¹

160.18

Other Names

• 2-Methyl-4(3H)-quinazolinone
• 2-Methyl-4-quinazolinone
• 2-Methyl-4-quinazolone
• 2-Methylquinazolone
• 2-methylquinazolin-4(1H)-one
• 4(3H)-Quinazolinone, 2-methyl-
• 4-Quinazolinol, 2-methyl-
• 4-Quinazolone, 2-methyl

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-48.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-2.22		Relay (1.0) Calculated Property
logPoct/wat	0.750		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Pc	4814.67	kPa	Relay (1.0-beta) Calculated Property
Inp	[1736.00; 1736.00]
Inp	1736.00		NIST
Inp	1736.00		NIST
Inp	1736.00		NIST
Ip	2085.00		NIST
Tboil	604.66	K	Relay (1.0) Calculated Property
Tc	869.48	K	Relay (1.0) Calculated Property
Tfus	505.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.442	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 4(1H)-Quinazolinone, 2-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Crippen Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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