3-(2-ethylphenyl)-2-methylquinazolin-4-one

C17H16N2O — CID 23914

💊View drug profile → etaqualone
IUPAC3-(2-ethylphenyl)-2-methylquinazolin-4-one
SMILESCCc1ccccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3
InChIKeyUVTJKLLUVOTSOB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.26
Rot. Bonds2

About 3-(2-ethylphenyl)-2-methylquinazolin-4-one

3-(2-ethylphenyl)-2-methylquinazolin-4-one (PubChem CID 23914) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-methylquinazolin-4-one
PubChem CID23914
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(2-ethylphenyl)-2-methylquinazolin-4-one
SMILESCCc1ccccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3
InChIKeyUVTJKLLUVOTSOB-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methaqualone
CID 6292
Tryptanthrin
CID 73549
Afloqualone
CID 2040
Mecloqualone
CID 9567
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
Deoxyvasicinone
CID 68261
4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-2-methyl-
CID 63203
ME0328
CID 135566764

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(2-ethylphenyl)-2-methylquinazolin-4-one (CID 23914) is 3-(2-ethylphenyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-ethylphenyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(2-ethylphenyl)-2-methylquinazolin-4-one is CCc1ccccc1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethylphenyl)-2-methylquinazolin-4-one?
The InChIKey is UVTJKLLUVOTSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-2-methylquinazolin-4-one?
3-(2-ethylphenyl)-2-methylquinazolin-4-one has a molecular weight of 264.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 23914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).