2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide

C17H11F3N2O2 — CID 71375758

IUPAC2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
SMILESNC(=O)c1cccc2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)24-12-7-4-10(5-8-12)14-9-6-11-2-1-3-13(16(21)23)15(11)22-14/h1-9H,(H2,21,23)
InChIKeySVNYVSTZNUHCKT-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.90
Rot. Bonds3

About 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide

2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide (PubChem CID 71375758) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
PubChem CID71375758
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
SMILESNC(=O)c1cccc2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)24-12-7-4-10(5-8-12)14-9-6-11-2-1-3-13(16(21)23)15(11)22-14/h1-9H,(H2,21,23)
InChIKeySVNYVSTZNUHCKT-UHFFFAOYSA-N
XLogP3.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)quinoline-8-carboxylic acid
CID 125495985
pyridine;4-[4-(trifluoromethoxy)phenyl]benzamide
CID 155075156
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182
2-chloroquinoline-8-carboxamide
CID 118665273
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 170794904
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]urea
CID 177312661
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
CID 134555509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide (CID 71375758) is 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide is NC(=O)c1cccc2ccc(-c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
The InChIKey is SVNYVSTZNUHCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)24-12-7-4-10(5-8-12)14-9-6-11-2-1-3-13(16(21)23)15(11)22-14/h1-9H,(H2,21,23).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 71375758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).