2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one

C28H23N3O2 — CID 23769692

IUPAC2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2NCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C28H23N3O2/c1-20-9-7-11-22(17-20)27-30-26-16-6-5-15-25(26)28(32)31(27)29-19-21-10-8-14-24(18-21)33-23-12-3-2-4-13-23/h2-18,29H,19H2,1H3
InChIKeyOKUGXIHUNBOMDV-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.91
Rot. Bonds6

About 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one

2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one (PubChem CID 23769692) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one
PubChem CID23769692
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2NCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C28H23N3O2/c1-20-9-7-11-22(17-20)27-30-26-16-6-5-15-25(26)28(32)31(27)29-19-21-10-8-14-24(18-21)33-23-12-3-2-4-13-23/h2-18,29H,19H2,1H3
InChIKeyOKUGXIHUNBOMDV-UHFFFAOYSA-N
XLogP5.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-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

3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
3-[(4-bromophenyl)methylamino]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24990560
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
3-[[4-(difluoromethoxy)phenyl]methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615142
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082
3-[(4-bromophenyl)methylamino]-2-(4-hydroxyphenyl)quinazolin-4-one
CID 135871074
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(3-phenoxyphenyl)methyl]propanamide
CID 39576535
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one?
The IUPAC name of 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one (CID 23769692) is 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one is Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one?
The InChIKey is OKUGXIHUNBOMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-20-9-7-11-22(17-20)27-30-26-16-6-5-15-25(26)28(32)31(27)29-19-21-10-8-14-24(18-21)33-23-12-3-2-4-13-23/h2-18,29H,19H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one?
2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one has a molecular weight of 433.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one is sourced from PubChem (CID 23769692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).