N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide

C17H11F3N2O2 — CID 38032613

IUPACN-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)24-13-6-3-5-12(10-13)21-16(23)15-9-8-11-4-1-2-7-14(11)22-15/h1-10H,(H,21,23)
InChIKeySHQKNUVKBRYMAW-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.39
Rot. Bonds3

About N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide

N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide (PubChem CID 38032613) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
PubChem CID38032613
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC NameN-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)24-13-6-3-5-12(10-13)21-16(23)15-9-8-11-4-1-2-7-14(11)22-15/h1-10H,(H,21,23)
InChIKeySHQKNUVKBRYMAW-UHFFFAOYSA-N
XLogP4.39
TPSA51.22 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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
CID 39204506
N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70852951
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 118113884
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide (CID 38032613) is N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The InChIKey is SHQKNUVKBRYMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)24-13-6-3-5-12(10-13)21-16(23)15-9-8-11-4-1-2-7-14(11)22-15/h1-10H,(H,21,23).
What are the key properties of N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 38032613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).