2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one

C23H22N2O2 — CID 143147910

IUPAC2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2C(C)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-16(17-8-4-3-5-9-17)25-22(18-12-14-19(27-2)15-13-18)24-21-11-7-6-10-20(21)23(25)26/h3-16,22,24H,1-2H3
InChIKeyYUMUFEPEDMKXCD-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one

2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 143147910) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID143147910
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2C(C)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-16(17-8-4-3-5-9-17)25-22(18-12-14-19(27-2)15-13-18)24-21-11-7-6-10-20(21)23(25)26/h3-16,22,24H,1-2H3
InChIKeyYUMUFEPEDMKXCD-UHFFFAOYSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-4-oxo-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-2-yl]benzonitrile
CID 40790571
(2R)-2-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 40795206
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 41024276
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779004
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
(2S)-3-[(2S)-butan-2-yl]-2-[4-(difluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008120
methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
CID 784677
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 143147910) is 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2C(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YUMUFEPEDMKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16(17-8-4-3-5-9-17)25-22(18-12-14-19(27-2)15-13-18)24-21-11-7-6-10-20(21)23(25)26/h3-16,22,24H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(1-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 143147910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).