(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C14H13N3O — CID 738767

IUPAC(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C14H13N3O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,15,16,17)/t10-/m1/s1
InChIKeyQNFZGNPBBNOUBH-SNVBAGLBSA-N
MW239.28 g/mol
LogP1.97
Rot. Bonds1

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

(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 738767) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID738767
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C14H13N3O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,15,16,17)/t10-/m1/s1
InChIKeyQNFZGNPBBNOUBH-SNVBAGLBSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
(7R)-2-(cyclopentylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 7342529
(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183786
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 664565
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183729
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
3-chloro-N-[(7R)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2016919
2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 3161010
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 738767) is (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O.
What is the InChIKey of (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QNFZGNPBBNOUBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,15,16,17)/t10-/m1/s1.
What are the key properties of (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 239.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 738767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).