Chemical Properties of 4-(5-ETHYLQUINUCLIDINE-2-CARBONYL)-1,2-DIHYDRO-2-OXOQUINOLINE

InChI

InChI=1S/C19H22N2O2/c1-2-12-11-21-8-7-13(12)9-17(21)19(23)15-10-18(22)20-16-6-4-3-5-14(15)16/h3-6,10,12-13,17H,2,7-9,11H2,1H3,(H,20,22)

InChI Key

CEPOUTOVISPBIE-UHFFFAOYSA-N

Formula

C19H22N2O2

SMILES

CCC1CN2CCC1CC2C(=O)c1cc(=O)[nH]c2ccccc12

Molecular Weight¹

310.40

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	2.349		Crippen Calculated Property
McVol	241.030	ml/mol	McGowan Calculated Property
Inp	[2552.00; 2552.00]
Inp	2552.00		NIST
Inp	2552.00		NIST
Tfus	516.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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-(5-ETHYLQUINUCLIDINE-2-CARBONYL)-1,2-DIHYDRO-2-OXOQUINOLINE.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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