6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide

C21H14F2N4O — CID 109164851

IUPAC6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C21H14F2N4O/c22-15-7-8-17(16(23)11-15)26-19-9-6-14(12-25-19)21(28)27-18-5-1-3-13-4-2-10-24-20(13)18/h1-12H,(H,25,26)(H,27,28)
InChIKeyVJOSTQCWJYEXIW-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.90
Rot. Bonds4

About 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide

6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109164851) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109164851
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C21H14F2N4O/c22-15-7-8-17(16(23)11-15)26-19-9-6-14(12-25-19)21(28)27-18-5-1-3-13-4-2-10-24-20(13)18/h1-12H,(H,25,26)(H,27,28)
InChIKeyVJOSTQCWJYEXIW-UHFFFAOYSA-N
XLogP4.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
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
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
N-(2,4-difluorophenyl)-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109162562
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
ethyl 2-[[5-[(2,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164884

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109164851) is 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is VJOSTQCWJYEXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-15-7-8-17(16(23)11-15)26-19-9-6-14(12-25-19)21(28)27-18-5-1-3-13-4-2-10-24-20(13)18/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109164851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).