N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C21H13BrFN3O — CID 39315313

IUPACN-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H13BrFN3O/c22-13-8-9-18(16(23)11-13)26-21(27)15-12-20(19-7-3-4-10-24-19)25-17-6-2-1-5-14(15)17/h1-12H,(H,26,27)
InChIKeyGPBNAMBQSZYEOU-UHFFFAOYSA-N
MW422.26 g/mol
LogP5.45
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 39315313) has the molecular formula C21H13BrFN3O and a molecular weight of 422.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID39315313
Molecular FormulaC21H13BrFN3O
Molecular Weight422.26 g/mol
Exact Mass421.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H13BrFN3O/c22-13-8-9-18(16(23)11-13)26-21(27)15-12-20(19-7-3-4-10-24-19)25-17-6-2-1-5-14(15)17/h1-12H,(H,26,27)
InChIKeyGPBNAMBQSZYEOU-UHFFFAOYSA-N
XLogP5.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.26
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798209
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 4685628
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220680
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-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798345
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 39315313) is N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is GPBNAMBQSZYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrFN3O/c22-13-8-9-18(16(23)11-13)26-21(27)15-12-20(19-7-3-4-10-24-19)25-17-6-2-1-5-14(15)17/h1-12H,(H,26,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 422.26 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 39315313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).