6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide

C16H9F4N3O2 — CID 142343785

IUPAC6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)nc1)c1cc2ncccc2cc1F
InChIInChI=1S/C16H9F4N3O2/c17-12-6-9-2-1-5-21-13(9)7-11(12)15(24)23-10-3-4-14(22-8-10)25-16(18,19)20/h1-8H,(H,23,24)
InChIKeyJTPQJOWGMXRTGT-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.92
Rot. Bonds3

About 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide

6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide (PubChem CID 142343785) has the molecular formula C16H9F4N3O2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide
PubChem CID142343785
Molecular FormulaC16H9F4N3O2
Molecular Weight351.26 g/mol
Exact Mass351.06
IUPAC Name6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)nc1)c1cc2ncccc2cc1F
InChIInChI=1S/C16H9F4N3O2/c17-12-6-9-2-1-5-21-13(9)7-11(12)15(24)23-10-3-4-14(22-8-10)25-16(18,19)20/h1-8H,(H,23,24)
InChIKeyJTPQJOWGMXRTGT-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-fluoroquinoline-7-carboxamide
CID 142343829
6-fluoroquinoline-7-carboxylic acid
CID 175475921
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
7-fluoroquinoline-6-carboxylic acid
CID 77174821
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 56952843
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
CID 68694892
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
CID 4585146

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide (CID 142343785) is 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide is O=C(Nc1ccc(OC(F)(F)F)nc1)c1cc2ncccc2cc1F.
What is the InChIKey of 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide?
The InChIKey is JTPQJOWGMXRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O2/c17-12-6-9-2-1-5-21-13(9)7-11(12)15(24)23-10-3-4-14(22-8-10)25-16(18,19)20/h1-8H,(H,23,24).
What are the key properties of 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide?
6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide has a molecular weight of 351.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-(trifluoromethoxy)-3-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 142343785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).