(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one

C21H18FN3O2 — CID 41286955

IUPAC(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccccc1Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O
InChIInChI=1S/C21H18FN3O2/c1-27-20-5-3-2-4-17(20)24-21-23-12-16-18(25-21)10-14(11-19(16)26)13-6-8-15(22)9-7-13/h2-9,12,14H,10-11H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyMSHAXQQOHFMTGM-AWEZNQCLSA-N
MW363.39 g/mol
LogP4.28
Rot. Bonds4

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

(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41286955) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID41286955
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccccc1Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O
InChIInChI=1S/C21H18FN3O2/c1-27-20-5-3-2-4-17(20)24-21-23-12-16-18(25-21)10-14(11-19(16)26)13-6-8-15(22)9-7-13/h2-9,12,14H,10-11H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyMSHAXQQOHFMTGM-AWEZNQCLSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one 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

N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
CID 5164971
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
(7R)-2-anilino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386591
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3581185
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 7342552
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888
N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
(7S)-7-(3,4-dimethoxyphenyl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41285739
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
2-(4-fluoroanilino)-7-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 170912417

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 41286955) is (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is COc1ccccc1Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O.
What is the InChIKey of (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is MSHAXQQOHFMTGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-27-20-5-3-2-4-17(20)24-21-23-12-16-18(25-21)10-14(11-19(16)26)13-6-8-15(22)9-7-13/h2-9,12,14H,10-11H2,1H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 363.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41286955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).