4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one

C14H13N3O — CID 10868375

IUPAC4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1nc(-c2ccccc2)nc2c1C(=O)CCC2
InChIInChI=1S/C14H13N3O/c15-13-12-10(7-4-8-11(12)18)16-14(17-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,15,16,17)
InChIKeyPWKPPMYCLFCRMU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds1

About 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one

4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 10868375) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID10868375
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1nc(-c2ccccc2)nc2c1C(=O)CCC2
InChIInChI=1S/C14H13N3O/c15-13-12-10(7-4-8-11(12)18)16-14(17-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,15,16,17)
InChIKeyPWKPPMYCLFCRMU-UHFFFAOYSA-N
XLogP2.24
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-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 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 10868375) is 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one is Nc1nc(-c2ccccc2)nc2c1C(=O)CCC2.
What is the InChIKey of 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PWKPPMYCLFCRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-13-12-10(7-4-8-11(12)18)16-14(17-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,15,16,17).
What are the key properties of 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 239.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 10868375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).