N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C21H13F2N3O — CID 50798209

IUPACN-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H13F2N3O/c22-13-8-9-16(23)19(11-13)26-21(27)15-12-20(18-7-3-4-10-24-18)25-17-6-2-1-5-14(15)17/h1-12H,(H,26,27)
InChIKeyGDGVOLJCOAXQJG-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.83
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 50798209) has the molecular formula C21H13F2N3O and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID50798209
Molecular FormulaC21H13F2N3O
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC NameN-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H13F2N3O/c22-13-8-9-16(23)19(11-13)26-21(27)15-12-20(18-7-3-4-10-24-18)25-17-6-2-1-5-14(15)17/h1-12H,(H,26,27)
InChIKeyGDGVOLJCOAXQJG-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 39315313
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798345
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 39045993
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 50798209) is N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(Nc1cc(F)ccc1F)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is GDGVOLJCOAXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O/c22-13-8-9-16(23)19(11-13)26-21(27)15-12-20(18-7-3-4-10-24-18)25-17-6-2-1-5-14(15)17/h1-12H,(H,26,27).
What are the key properties of N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).