N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide

C23H15F4N3O — CID 71144663

IUPACN-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1
InChIInChI=1S/C23H15F4N3O/c24-17-9-7-15(8-10-17)20(21-18(23(25,26)27)4-2-12-29-21)30-22(31)16-6-5-14-3-1-11-28-19(14)13-16/h1-13,20H,(H,30,31)/t20-/m0/s1
InChIKeyKHLQJMXGNUKLQZ-FQEVSTJZSA-N
MW425.39 g/mol
LogP5.31
Rot. Bonds4

About N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide

N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide (PubChem CID 71144663) has the molecular formula C23H15F4N3O and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
PubChem CID71144663
Molecular FormulaC23H15F4N3O
Molecular Weight425.39 g/mol
Exact Mass425.12
IUPAC NameN-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1
InChIInChI=1S/C23H15F4N3O/c24-17-9-7-15(8-10-17)20(21-18(23(25,26)27)4-2-12-29-21)30-22(31)16-6-5-14-3-1-11-28-19(14)13-16/h1-13,20H,(H,30,31)/t20-/m0/s1
InChIKeyKHLQJMXGNUKLQZ-FQEVSTJZSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
CID 71144067
(3S)-3-(4-fluorophenyl)-1-quinolin-7-yl-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 153267386
N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 90124743
N-[(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]-6-methoxypyridine-3-carboxamide
CID 71144436
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
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
CID 89310509
N-[(S)-[3-[(1R)-2,2-dimethylcyclopropyl]-2-pyridinyl]-[4-(fluoromethyl)phenyl]methyl]quinoline-7-carboxamide
CID 90227617
N-[(S)-[4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylpyridine-4-carboxamide
CID 90124742
3-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310513
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 86970978
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 71144658

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide (CID 71144663) is N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide is O=C(N[C@@H](c1ccc(F)cc1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
The InChIKey is KHLQJMXGNUKLQZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H15F4N3O/c24-17-9-7-15(8-10-17)20(21-18(23(25,26)27)4-2-12-29-21)30-22(31)16-6-5-14-3-1-11-28-19(14)13-16/h1-13,20H,(H,30,31)/t20-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide?
N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 71144663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).