2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one

C19H20N2O — CID 145099400

IUPAC2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
SMILESCc1ccc(CCc2nc3c(C)cccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C19H20N2O/c1-12-7-8-15(11-14(12)3)9-10-17-20-18-13(2)5-4-6-16(18)19(22)21-17/h4-8,11H,9-10H2,1-3H3,(H,20,21,22)
InChIKeyWKALZIYXKAOPSN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one

2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one (PubChem CID 145099400) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
PubChem CID145099400
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
SMILESCc1ccc(CCc2nc3c(C)cccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C19H20N2O/c1-12-7-8-15(11-14(12)3)9-10-17-20-18-13(2)5-4-6-16(18)19(22)21-17/h4-8,11H,9-10H2,1-3H3,(H,20,21,22)
InChIKeyWKALZIYXKAOPSN-UHFFFAOYSA-N
XLogP3.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861
2-(cyclobutylmethylsulfanylmethyl)-8-methyl-3H-quinazolin-4-one
CID 159857248
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135566578
3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
CID 135966774
3-(8-methoxy-4-oxo-3H-quinazolin-2-yl)propanal
CID 177042597
8-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135739677
8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
CID 135531195
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441
8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one
CID 137190173
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate
CID 135815729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one (CID 145099400) is 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one is Cc1ccc(CCc2nc3c(C)cccc3c(=O)[nH]2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one?
The InChIKey is WKALZIYXKAOPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-7-8-15(11-14(12)3)9-10-17-20-18-13(2)5-4-6-16(18)19(22)21-17/h4-8,11H,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one?
2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one has a molecular weight of 292.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 145099400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).