N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide

C25H20FN3O3 — CID 25238701

IUPACN-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
SMILESO=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C25H20FN3O3/c26-20-11-5-6-12-21(20)28-23(30)16-29-22-13-7-4-10-18(22)19(14-24(29)31)25(32)27-15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,27,32)(H,28,30)
InChIKeyCDINOOVBJPABFL-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.71
Rot. Bonds6

About N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide

N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide (PubChem CID 25238701) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
PubChem CID25238701
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
SMILESO=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1F
InChIInChI=1S/C25H20FN3O3/c26-20-11-5-6-12-21(20)28-23(30)16-29-22-13-7-4-10-18(22)19(14-24(29)31)25(32)27-15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,27,32)(H,28,30)
InChIKeyCDINOOVBJPABFL-UHFFFAOYSA-N
XLogP3.71
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
CID 139956924
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 20864344
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 50844755

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide (CID 25238701) is N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide is O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1F.
What is the InChIKey of N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is CDINOOVBJPABFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c26-20-11-5-6-12-21(20)28-23(30)16-29-22-13-7-4-10-18(22)19(14-24(29)31)25(32)27-15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,27,32)(H,28,30).
What are the key properties of N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 25238701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).