(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C21H18FN3O — CID 1389056

IUPAC(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1
InChIInChI=1S/C21H18FN3O/c1-13-2-4-14(5-3-13)15-10-19-18(20(26)11-15)12-23-21(25-19)24-17-8-6-16(22)7-9-17/h2-9,12,15H,10-11H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyGZFLAJVVQVKXJA-HNNXBMFYSA-N
MW347.39 g/mol
LogP4.58
Rot. Bonds3

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

(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1389056) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID1389056
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1
InChIInChI=1S/C21H18FN3O/c1-13-2-4-14(5-3-13)15-10-19-18(20(26)11-15)12-23-21(25-19)24-17-8-6-16(22)7-9-17/h2-9,12,15H,10-11H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyGZFLAJVVQVKXJA-HNNXBMFYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(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
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7R)-2-(4-fluoroanilino)-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386690
2-(4-fluoroanilino)-7-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 170912417
7-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584098
(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41286955
(7S)-2-(4-fluoroanilino)-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 41386692
(7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1398359
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
CID 5164971

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 1389056) is (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1.
What is the InChIKey of (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GZFLAJVVQVKXJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-13-2-4-14(5-3-13)15-10-19-18(20(26)11-15)12-23-21(25-19)24-17-8-6-16(22)7-9-17/h2-9,12,15H,10-11H2,1H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 347.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1389056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).