4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide

C23H14ClF4N3O — CID 71144078

IUPAC4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2nccc(Cl)c2c1
InChIInChI=1S/C23H14ClF4N3O/c24-17-9-11-29-19-8-5-14(12-16(17)19)22(32)31-20(21-18(25)2-1-10-30-21)13-3-6-15(7-4-13)23(26,27)28/h1-12,20H,(H,31,32)
InChIKeyFWKPSDXXLPHESS-UHFFFAOYSA-N
MW459.83 g/mol
LogP5.96
Rot. Bonds4

About 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide

4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 71144078) has the molecular formula C23H14ClF4N3O and a molecular weight of 459.83 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
PubChem CID71144078
Molecular FormulaC23H14ClF4N3O
Molecular Weight459.83 g/mol
Exact Mass459.08
IUPAC Name4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2nccc(Cl)c2c1
InChIInChI=1S/C23H14ClF4N3O/c24-17-9-11-29-19-8-5-14(12-16(17)19)22(32)31-20(21-18(25)2-1-10-30-21)13-3-6-15(7-4-13)23(26,27)28/h1-12,20H,(H,31,32)
InChIKeyFWKPSDXXLPHESS-UHFFFAOYSA-N
XLogP5.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.83
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide 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-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpyridine-4-carboxamide
CID 71144025
[7-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]quinolin-4-yl] 2,2,2-trifluoroacetate
CID 90217040
3-cyano-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 71144558
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 71144658
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 90217041
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 71144622
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71144093
2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 71144576
4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
CID 130288176
N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
CID 71144067
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 123503906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide (CID 71144078) is 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide is O=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1F)c1ccc2nccc(Cl)c2c1.
What is the InChIKey of 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is FWKPSDXXLPHESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4N3O/c24-17-9-11-29-19-8-5-14(12-16(17)19)22(32)31-20(21-18(25)2-1-10-30-21)13-3-6-15(7-4-13)23(26,27)28/h1-12,20H,(H,31,32).
What are the key properties of 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide?
4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 459.83 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 71144078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).