(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

C21H18ClN3O — CID 41285448

IUPAC(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1
InChIInChI=1S/C21H18ClN3O/c1-13-2-8-17(9-3-13)24-21-23-12-18-19(25-21)10-15(11-20(18)26)14-4-6-16(22)7-5-14/h2-9,12,15H,10-11H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyFDZNCKCDSBLRCI-HNNXBMFYSA-N
MW363.85 g/mol
LogP5.09
Rot. Bonds3

About (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41285448) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41285448
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1
InChIInChI=1S/C21H18ClN3O/c1-13-2-8-17(9-3-13)24-21-23-12-18-19(25-21)10-15(11-20(18)26)14-4-6-16(22)7-5-14/h2-9,12,15H,10-11H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyFDZNCKCDSBLRCI-HNNXBMFYSA-N
XLogP5.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584098
(7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1398359
2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 2022304
4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2005385
7-(4-chlorophenyl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 3344088
(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 41285448) is (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1.
What is the InChIKey of (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FDZNCKCDSBLRCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-13-2-8-17(9-3-13)24-21-23-12-18-19(25-21)10-15(11-20(18)26)14-4-6-16(22)7-5-14/h2-9,12,15H,10-11H2,1H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 363.85 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41285448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).