(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C15H15N3O — CID 792933

IUPAC(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C15H15N3O/c1-9-14-12(18-15(16)17-9)7-11(8-13(14)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,16,17,18)/t11-/m0/s1
InChIKeyPHMJMYBSWXYOLM-NSHDSACASA-N
MW253.31 g/mol
LogP2.28
Rot. Bonds1

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

(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 792933) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID792933
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C15H15N3O/c1-9-14-12(18-15(16)17-9)7-11(8-13(14)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,16,17,18)/t11-/m0/s1
InChIKeyPHMJMYBSWXYOLM-NSHDSACASA-N
XLogP2.28
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-2-amino-4-methyl-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 (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 792933) is (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)C[C@@H](c1ccccc1)C2.
What is the InChIKey of (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PHMJMYBSWXYOLM-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-14-12(18-15(16)17-9)7-11(8-13(14)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,16,17,18)/t11-/m0/s1.
What are the key properties of (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 253.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 792933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).