N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide

C20H12ClFN2O2 — CID 8011201

IUPACN-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H12ClFN2O2/c21-15-10-12(22)7-8-17(15)24-20(25)14-11-18(19-6-3-9-26-19)23-16-5-2-1-4-13(14)16/h1-11H,(H,24,25)
InChIKeyVYTGDAVTEBJHDW-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.54
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide

N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 8011201) has the molecular formula C20H12ClFN2O2 and a molecular weight of 366.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID8011201
Molecular FormulaC20H12ClFN2O2
Molecular Weight366.78 g/mol
Exact Mass366.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H12ClFN2O2/c21-15-10-12(22)7-8-17(15)24-20(25)14-11-18(19-6-3-9-26-19)23-16-5-2-1-4-13(14)16/h1-11H,(H,24,25)
InChIKeyVYTGDAVTEBJHDW-UHFFFAOYSA-N
XLogP5.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
2-(furan-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4601921
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2364634

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 8011201) is N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is VYTGDAVTEBJHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O2/c21-15-10-12(22)7-8-17(15)24-20(25)14-11-18(19-6-3-9-26-19)23-16-5-2-1-4-13(14)16/h1-11H,(H,24,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 366.78 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 8011201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).