N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide

C23H15F2N3O2 — CID 166336345

IUPACN-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
SMILESNC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H15F2N3O2/c24-17-10-16(22(26)29)21(12-18(17)25)28-23(30)15-11-20(13-6-2-1-3-7-13)27-19-9-5-4-8-14(15)19/h1-12H,(H2,26,29)(H,28,30)
InChIKeyPYNGKUHYKOMRBF-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.53
Rot. Bonds4

About N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide

N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 166336345) has the molecular formula C23H15F2N3O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
PubChem CID166336345
Molecular FormulaC23H15F2N3O2
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC NameN-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
SMILESNC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H15F2N3O2/c24-17-10-16(22(26)29)21(12-18(17)25)28-23(30)15-11-20(13-6-2-1-3-7-13)27-19-9-5-4-8-14(15)19/h1-12H,(H2,26,29)(H,28,30)
InChIKeyPYNGKUHYKOMRBF-UHFFFAOYSA-N
XLogP4.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
CID 51114321

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide (CID 166336345) is N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide is NC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is PYNGKUHYKOMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O2/c24-17-10-16(22(26)29)21(12-18(17)25)28-23(30)15-11-20(13-6-2-1-3-7-13)27-19-9-5-4-8-14(15)19/h1-12H,(H2,26,29)(H,28,30).
What are the key properties of N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide?
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 166336345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).