6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one

C15H13ClN4O — CID 136808564

IUPAC6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
SMILESNc1ccc2nc(NCc3ccccc3Cl)[nH]c(=O)c2c1
InChIInChI=1S/C15H13ClN4O/c16-12-4-2-1-3-9(12)8-18-15-19-13-6-5-10(17)7-11(13)14(21)20-15/h1-7H,8,17H2,(H2,18,19,20,21)
InChIKeyDQGHBAJDFGMBIC-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.77
Rot. Bonds3

About 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one

6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one (PubChem CID 136808564) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
PubChem CID136808564
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
SMILESNc1ccc2nc(NCc3ccccc3Cl)[nH]c(=O)c2c1
InChIInChI=1S/C15H13ClN4O/c16-12-4-2-1-3-9(12)8-18-15-19-13-6-5-10(17)7-11(13)14(21)20-15/h1-7H,8,17H2,(H2,18,19,20,21)
InChIKeyDQGHBAJDFGMBIC-UHFFFAOYSA-N
XLogP2.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-[(2-chlorophenyl)methylamino]-3H-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

6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
CID 136808641
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
CID 136809224
6-amino-2-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987740
6-amino-2-(2,2,3,3-tetrafluoropropylamino)-3H-quinazolin-4-one
CID 136819382
6-amino-2-(4,4,4-trifluorobutylamino)-3H-quinazolin-4-one
CID 136809200
6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one
CID 136808611
6-amino-2-(2-chloro-5-fluoroanilino)-3H-quinazolin-4-one
CID 136857307
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 136757554
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
6-amino-2-(2-prop-2-ynylsulfanylethylamino)-3H-quinazolin-4-one
CID 136902114

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one (CID 136808564) is 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one is Nc1ccc2nc(NCc3ccccc3Cl)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one?
The InChIKey is DQGHBAJDFGMBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-12-4-2-1-3-9(12)8-18-15-19-13-6-5-10(17)7-11(13)14(21)20-15/h1-7H,8,17H2,(H2,18,19,20,21).
What are the key properties of 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one?
6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one has a molecular weight of 300.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).