3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide

C23H16F3N3O — CID 155287878

IUPAC3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
SMILESCc1cccc(-c2cnc3cc(C(=O)Nc4ccc(C(F)(F)F)nc4)ccc3c2)c1
InChIInChI=1S/C23H16F3N3O/c1-14-3-2-4-15(9-14)18-10-16-5-6-17(11-20(16)27-12-18)22(30)29-19-7-8-21(28-13-19)23(24,25)26/h2-13H,1H3,(H,29,30)
InChIKeyXLHNWVIPOZHPBB-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.88
Rot. Bonds3

About 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide

3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide (PubChem CID 155287878) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
PubChem CID155287878
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
SMILESCc1cccc(-c2cnc3cc(C(=O)Nc4ccc(C(F)(F)F)nc4)ccc3c2)c1
InChIInChI=1S/C23H16F3N3O/c1-14-3-2-4-15(9-14)18-10-16-5-6-17(11-20(16)27-12-18)22(30)29-19-7-8-21(28-13-19)23(24,25)26/h2-13H,1H3,(H,29,30)
InChIKeyXLHNWVIPOZHPBB-UHFFFAOYSA-N
XLogP5.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide
CID 155288006
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131900628
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
3-phenylquinoline-7-carboxylic acid
CID 68924560
N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 71180773

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide (CID 155287878) is 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide is Cc1cccc(-c2cnc3cc(C(=O)Nc4ccc(C(F)(F)F)nc4)ccc3c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
The InChIKey is XLHNWVIPOZHPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c1-14-3-2-4-15(9-14)18-10-16-5-6-17(11-20(16)27-12-18)22(30)29-19-7-8-21(28-13-19)23(24,25)26/h2-13H,1H3,(H,29,30).
What are the key properties of 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide?
3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 155287878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).