7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one

C24H16F4N2O2 — CID 157063350

IUPAC7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one
SMILESO=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C24H16F4N2O2/c25-19-2-1-10-30-23(19)18(14-3-6-16(7-4-14)24(26,27)28)13-22(32)15-5-8-17-20(12-15)29-11-9-21(17)31/h1-12,18H,13H2,(H,29,31)/t18-/m0/s1
InChIKeyABOUQMCGQRVNTK-SFHVURJKSA-N
MW440.40 g/mol
LogP5.49
Rot. Bonds5

About 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one

7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one (PubChem CID 157063350) has the molecular formula C24H16F4N2O2 and a molecular weight of 440.40 g/mol. Its IUPAC name is 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one
PubChem CID157063350
Molecular FormulaC24H16F4N2O2
Molecular Weight440.40 g/mol
Exact Mass440.11
IUPAC Name7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one
SMILESO=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C24H16F4N2O2/c25-19-2-1-10-30-23(19)18(14-3-6-16(7-4-14)24(26,27)28)13-22(32)15-5-8-17-20(12-15)29-11-9-21(17)31/h1-12,18H,13H2,(H,29,31)/t18-/m0/s1
InChIKeyABOUQMCGQRVNTK-SFHVURJKSA-N
XLogP5.49
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-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

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 90217041
6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-3H-1-benzofuran-2-one
CID 162088166
1-ethyl-5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]pyridin-2-one
CID 158634639
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
CID 89310509
(3S)-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 157277176
5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1-(2-hydroxy-2-methylpropyl)pyridin-2-one
CID 152812232
methyl 4-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoyl]benzoate
CID 162112611
5-[(4S)-4-(3-fluoro-2-pyridinyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]butyl]-1,3-dihydroindol-2-one
CID 146689953
(3S)-3-(4-fluorophenyl)-1-quinolin-7-yl-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 153267386
5-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 162131313
(3S)-1-[4-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 149205544
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one?
The IUPAC name of 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one (CID 157063350) is 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one?
The canonical SMILES for 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one is O=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2c(=O)cc[nH]c2c1.
What is the InChIKey of 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one?
The InChIKey is ABOUQMCGQRVNTK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H16F4N2O2/c25-19-2-1-10-30-23(19)18(14-3-6-16(7-4-14)24(26,27)28)13-22(32)15-5-8-17-20(12-15)29-11-9-21(17)31/h1-12,18H,13H2,(H,29,31)/t18-/m0/s1.
What are the key properties of 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one?
7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one has a molecular weight of 440.40 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one is sourced from PubChem (CID 157063350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).