2,6-bis(trifluoromethyl)quinoline-4-carboxamide

C12H6F6N2O — CID 97054560

IUPAC2,6-bis(trifluoromethyl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H6F6N2O/c13-11(14,15)5-1-2-8-6(3-5)7(10(19)21)4-9(20-8)12(16,17)18/h1-4H,(H2,19,21)
InChIKeyHAOTVVABJAWEAC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.37
Rot. Bonds1

About 2,6-bis(trifluoromethyl)quinoline-4-carboxamide

2,6-bis(trifluoromethyl)quinoline-4-carboxamide (PubChem CID 97054560) has the molecular formula C12H6F6N2O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)quinoline-4-carboxamide
PubChem CID97054560
Molecular FormulaC12H6F6N2O
Molecular Weight308.18 g/mol
Exact Mass308.04
IUPAC Name2,6-bis(trifluoromethyl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H6F6N2O/c13-11(14,15)5-1-2-8-6(3-5)7(10(19)21)4-9(20-8)12(16,17)18/h1-4H,(H2,19,21)
InChIKeyHAOTVVABJAWEAC-UHFFFAOYSA-N
XLogP3.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
6-(trifluoromethyl)acridine-4-carboxamide
CID 174361443
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
2-[2,6-bis(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
CID 2737658
N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
CID 82574503
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid
CID 21409217
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160851674

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)quinoline-4-carboxamide?
The IUPAC name of 2,6-bis(trifluoromethyl)quinoline-4-carboxamide (CID 97054560) is 2,6-bis(trifluoromethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6-bis(trifluoromethyl)quinoline-4-carboxamide?
The canonical SMILES for 2,6-bis(trifluoromethyl)quinoline-4-carboxamide is NC(=O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2,6-bis(trifluoromethyl)quinoline-4-carboxamide?
The InChIKey is HAOTVVABJAWEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2O/c13-11(14,15)5-1-2-8-6(3-5)7(10(19)21)4-9(20-8)12(16,17)18/h1-4H,(H2,19,21).
What are the key properties of 2,6-bis(trifluoromethyl)quinoline-4-carboxamide?
2,6-bis(trifluoromethyl)quinoline-4-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)quinoline-4-carboxamide is sourced from PubChem (CID 97054560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).