5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine

C20H18N4 — CID 145391350

IUPAC5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine
SMILES[H]/N=C1\CC(c2ccccc2)Cc2nc(Nc3ccccc3)ncc21
InChIInChI=1S/C20H18N4/c21-18-11-15(14-7-3-1-4-8-14)12-19-17(18)13-22-20(24-19)23-16-9-5-2-6-10-16/h1-10,13,15,21H,11-12H2,(H,22,23,24)/b21-18+
InChIKeyFUICEFUKGXGIQP-DYTRJAOYSA-N
MW314.39 g/mol
LogP4.32
Rot. Bonds3

About 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine

5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine (PubChem CID 145391350) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine.

Molecular Properties

Compound Name5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine
PubChem CID145391350
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine
SMILES[H]/N=C1\CC(c2ccccc2)Cc2nc(Nc3ccccc3)ncc21
InChIInChI=1S/C20H18N4/c21-18-11-15(14-7-3-1-4-8-14)12-19-17(18)13-22-20(24-19)23-16-9-5-2-6-10-16/h1-10,13,15,21H,11-12H2,(H,22,23,24)/b21-18+
InChIKeyFUICEFUKGXGIQP-DYTRJAOYSA-N
XLogP4.32
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine 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

(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
(7R)-2-anilino-7-(2,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629810
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285448
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3581185
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
(7R)-2-(cyclopentylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 7342529
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
2-(4-fluoroanilino)-7-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 170912417
2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 3161010
(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285739

Frequently Asked Questions

What is the IUPAC name of 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine?
The IUPAC name of 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine (CID 145391350) is 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine.
What is the SMILES notation for 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine?
The canonical SMILES for 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine is [H]/N=C1\CC(c2ccccc2)Cc2nc(Nc3ccccc3)ncc21.
What is the InChIKey of 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine?
The InChIKey is FUICEFUKGXGIQP-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-18-11-15(14-7-3-1-4-8-14)12-19-17(18)13-22-20(24-19)23-16-9-5-2-6-10-16/h1-10,13,15,21H,11-12H2,(H,22,23,24)/b21-18+.
What are the key properties of 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine?
5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-N,7-diphenyl-7,8-dihydro-6H-quinazolin-2-amine is sourced from PubChem (CID 145391350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).