7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

C27H26F2N2O3S — CID 20905068

IUPAC7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1cccc(F)c1
InChIInChI=1S/C27H26F2N2O3S/c1-4-30(5-2)25-15-24-22(14-23(25)29)27(32)26(35(33,34)21-11-9-18(3)10-12-21)17-31(24)16-19-7-6-8-20(28)13-19/h6-15,17H,4-5,16H2,1-3H3
InChIKeyYXXLCVZPRUPOAQ-UHFFFAOYSA-N
MW496.58 g/mol
LogP5.32
Rot. Bonds7

About 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (PubChem CID 20905068) has the molecular formula C27H26F2N2O3S and a molecular weight of 496.58 g/mol. Its IUPAC name is 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.

Molecular Properties

Compound Name7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
PubChem CID20905068
Molecular FormulaC27H26F2N2O3S
Molecular Weight496.58 g/mol
Exact Mass496.16
IUPAC Name7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1cccc(F)c1
InChIInChI=1S/C27H26F2N2O3S/c1-4-30(5-2)25-15-24-22(14-23(25)29)27(32)26(35(33,34)21-11-9-18(3)10-12-21)17-31(24)16-19-7-6-8-20(28)13-19/h6-15,17H,4-5,16H2,1-3H3
InChIKeyYXXLCVZPRUPOAQ-UHFFFAOYSA-N
XLogP5.32
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-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

7-(diethylamino)-6-fluoro-1-[(3-methylphenyl)methyl]-3-(3-methylphenyl)sulfonylquinolin-4-one
CID 20905252
6,7-difluoro-1-[(3-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 18559374
1-[(3-chlorophenyl)methyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874581
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874575
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
3-(3-chlorophenyl)sulfonyl-7-(diethylamino)-6-fluoro-1-propylquinolin-4-one
CID 20905298
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 2140958
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212
1-ethyl-3-(4-ethylphenyl)sulfonyl-6,7-difluoroquinolin-4-one
CID 20874603
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
1-[(3-chlorophenyl)methyl]-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874579
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The IUPAC name of 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (CID 20905068) is 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.
What is the SMILES notation for 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The canonical SMILES for 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is CCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1cccc(F)c1.
What is the InChIKey of 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The InChIKey is YXXLCVZPRUPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O3S/c1-4-30(5-2)25-15-24-22(14-23(25)29)27(32)26(35(33,34)21-11-9-18(3)10-12-21)17-31(24)16-19-7-6-8-20(28)13-19/h6-15,17H,4-5,16H2,1-3H3.
What are the key properties of 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one has a molecular weight of 496.58 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-6-fluoro-1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is sourced from PubChem (CID 20905068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).