N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide

C23H18FN3O2 — CID 166365874

IUPACN-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C23H18FN3O2/c1-27-20-9-5-2-6-17(20)22(28)14-21(27)23(29)26-19-8-4-3-7-18(19)25-16-12-10-15(24)11-13-16/h2-14,25H,1H3,(H,26,29)
InChIKeyXADPTEZSRKFPOL-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.67
Rot. Bonds4

About N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide

N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide (PubChem CID 166365874) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide
PubChem CID166365874
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C23H18FN3O2/c1-27-20-9-5-2-6-17(20)22(28)14-21(27)23(29)26-19-8-4-3-7-18(19)25-16-12-10-15(24)11-13-16/h2-14,25H,1H3,(H,26,29)
InChIKeyXADPTEZSRKFPOL-UHFFFAOYSA-N
XLogP4.67
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
N-(4-fluorophenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3670742
2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745109
N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide
CID 54684985
3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
CID 45123270
N-[2-(4-fluoroanilino)phenyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 166195216
2-(4-fluorophenyl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767260
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97385191
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745099
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
CID 60529287

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide (CID 166365874) is N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide is Cn1c(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cc(=O)c2ccccc21.
What is the InChIKey of N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide?
The InChIKey is XADPTEZSRKFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-27-20-9-5-2-6-17(20)22(28)14-21(27)23(29)26-19-8-4-3-7-18(19)25-16-12-10-15(24)11-13-16/h2-14,25H,1H3,(H,26,29).
What are the key properties of N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide?
N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide is sourced from PubChem (CID 166365874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).