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

C21H19N3O — CID 713042

IUPAC(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2ccccc2)Cc2nc(NCc3ccccc3)ncc21
InChIInChI=1S/C21H19N3O/c25-20-12-17(16-9-5-2-6-10-16)11-19-18(20)14-23-21(24-19)22-13-15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,22,23,24)/t17-/m1/s1
InChIKeyPVTUMTXAAAFDDV-QGZVFWFLSA-N
MW329.40 g/mol
LogP4.00
Rot. Bonds4

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

(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 713042) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID713042
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1C[C@H](c2ccccc2)Cc2nc(NCc3ccccc3)ncc21
InChIInChI=1S/C21H19N3O/c25-20-12-17(16-9-5-2-6-10-16)11-19-18(20)14-23-21(24-19)22-13-15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,22,23,24)/t17-/m1/s1
InChIKeyPVTUMTXAAAFDDV-QGZVFWFLSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7R)-2-(cyclopentylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 7342529
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7342667
N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
CID 2021087
2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 5297233
(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7332901
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873
(7S)-2-(furan-2-ylmethylamino)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 2016380

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 713042) is (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](c2ccccc2)Cc2nc(NCc3ccccc3)ncc21.
What is the InChIKey of (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PVTUMTXAAAFDDV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N3O/c25-20-12-17(16-9-5-2-6-10-16)11-19-18(20)14-23-21(24-19)22-13-15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,22,23,24)/t17-/m1/s1.
What are the key properties of (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 329.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 713042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).