4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide

C24H15F6N3O2 — CID 89310509

IUPAC4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C24H15F6N3O2/c25-23(26,27)15-6-3-13(4-7-15)20(21-17(24(28,29)30)2-1-10-32-21)33-22(35)14-5-8-16-18(12-14)31-11-9-19(16)34/h1-12,20H,(H,31,34)(H,33,35)
InChIKeyJJVFPOOMRIYWKC-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.48
Rot. Bonds4

About 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide

4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide (PubChem CID 89310509) has the molecular formula C24H15F6N3O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
PubChem CID89310509
Molecular FormulaC24H15F6N3O2
Molecular Weight491.39 g/mol
Exact Mass491.11
IUPAC Name4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc2c(=O)cc[nH]c2c1
InChIInChI=1S/C24H15F6N3O2/c25-23(26,27)15-6-3-13(4-7-15)20(21-17(24(28,29)30)2-1-10-32-21)33-22(35)14-5-8-16-18(12-14)31-11-9-19(16)34/h1-12,20H,(H,31,34)(H,33,35)
InChIKeyJJVFPOOMRIYWKC-UHFFFAOYSA-N
XLogP5.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 90217041
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide
CID 89310512
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
1,3-dioxo-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoindole-5-carboxamide
CID 78089287
3-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310513
1,3-dioxo-2-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoindole-5-carboxamide
CID 89310433
7-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propanoyl]-1H-quinolin-4-one
CID 157063350
N-[(S)-(4-fluorophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
CID 71144663
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 71144658
N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 71502627
2-cyano-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310412

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide?
The IUPAC name of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide (CID 89310509) is 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide.
What is the SMILES notation for 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide?
The canonical SMILES for 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide is O=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)c1ccc2c(=O)cc[nH]c2c1.
What is the InChIKey of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide?
The InChIKey is JJVFPOOMRIYWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O2/c25-23(26,27)15-6-3-13(4-7-15)20(21-17(24(28,29)30)2-1-10-32-21)33-22(35)14-5-8-16-18(12-14)31-11-9-19(16)34/h1-12,20H,(H,31,34)(H,33,35).
What are the key properties of 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide?
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide is sourced from PubChem (CID 89310509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).