2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide

C15H9ClFN3O — CID 103874447

IUPAC2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccncc1F)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H9ClFN3O/c16-14-7-10(9-3-1-2-4-12(9)19-14)15(21)20-13-5-6-18-8-11(13)17/h1-8H,(H,18,20,21)
InChIKeyWEYLTKQEWDSBGW-UHFFFAOYSA-N
MW301.71 g/mol
LogP3.67
Rot. Bonds2

About 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide

2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide (PubChem CID 103874447) has the molecular formula C15H9ClFN3O and a molecular weight of 301.71 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide
PubChem CID103874447
Molecular FormulaC15H9ClFN3O
Molecular Weight301.71 g/mol
Exact Mass301.04
IUPAC Name2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccncc1F)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H9ClFN3O/c16-14-7-10(9-3-1-2-4-12(9)19-14)15(21)20-13-5-6-18-8-11(13)17/h1-8H,(H,18,20,21)
InChIKeyWEYLTKQEWDSBGW-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
N-(3-fluoro-4-pyridinyl)-1-hydroxynaphthalene-2-carboxamide
CID 103874401
2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide
CID 55907680
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
CID 79099972
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide (CID 103874447) is 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide is O=C(Nc1ccncc1F)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide?
The InChIKey is WEYLTKQEWDSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O/c16-14-7-10(9-3-1-2-4-12(9)19-14)15(21)20-13-5-6-18-8-11(13)17/h1-8H,(H,18,20,21).
What are the key properties of 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide?
2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide has a molecular weight of 301.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 103874447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).