6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide

C21H15FN4O — CID 109163204

IUPAC6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Nc2ccccc2F)nc1
InChIInChI=1S/C21H15FN4O/c22-16-7-1-2-8-17(16)25-19-11-10-15(13-24-19)21(27)26-18-9-3-5-14-6-4-12-23-20(14)18/h1-13H,(H,24,25)(H,26,27)
InChIKeyKPPKPUMZQVVTKN-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.76
Rot. Bonds4

About 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide

6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109163204) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109163204
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Nc2ccccc2F)nc1
InChIInChI=1S/C21H15FN4O/c22-16-7-1-2-8-17(16)25-19-11-10-15(13-24-19)21(27)26-18-9-3-5-14-6-4-12-23-20(14)18/h1-13H,(H,24,25)(H,26,27)
InChIKeyKPPKPUMZQVVTKN-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
6-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157732
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164287
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109163195

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109163204) is 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(Nc2ccccc2F)nc1.
What is the InChIKey of 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is KPPKPUMZQVVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-16-7-1-2-8-17(16)25-19-11-10-15(13-24-19)21(27)26-18-9-3-5-14-6-4-12-23-20(14)18/h1-13H,(H,24,25)(H,26,27).
What are the key properties of 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109163204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).