2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C21H19N3O2 — CID 664248

IUPAC2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C21H19N3O2/c1-26-17-9-7-16(8-10-17)23-21-22-13-18-19(24-21)11-15(12-20(18)25)14-5-3-2-4-6-14/h2-10,13,15H,11-12H2,1H3,(H,22,23,24)
InChIKeyVIIHGHFHDNAICO-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 664248) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID664248
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C21H19N3O2/c1-26-17-9-7-16(8-10-17)23-21-22-13-18-19(24-21)11-15(12-20(18)25)14-5-3-2-4-6-14/h2-10,13,15H,11-12H2,1H3,(H,22,23,24)
InChIKeyVIIHGHFHDNAICO-UHFFFAOYSA-N
XLogP4.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 664248) is 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VIIHGHFHDNAICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-17-9-7-16(8-10-17)23-21-22-13-18-19(24-21)11-15(12-20(18)25)14-5-3-2-4-6-14/h2-10,13,15H,11-12H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 345.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 664248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).