N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide

C24H26FN5O4 — CID 53091048

IUPACN-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCCCN1CCCC1=O
InChIInChI=1S/C24H26FN5O4/c25-17-8-10-18(11-9-17)27-24(34)30-16-23(33)29(19-5-1-2-6-20(19)30)15-21(31)26-12-4-14-28-13-3-7-22(28)32/h1-2,5-6,8-11H,3-4,7,12-16H2,(H,26,31)(H,27,34)
InChIKeyQIBMESGKYJWYHL-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.34
Rot. Bonds7

About N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide

N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide (PubChem CID 53091048) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
PubChem CID53091048
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC NameN-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCCCN1CCCC1=O
InChIInChI=1S/C24H26FN5O4/c25-17-8-10-18(11-9-17)27-24(34)30-16-23(33)29(19-5-1-2-6-20(19)30)15-21(31)26-12-4-14-28-13-3-7-22(28)32/h1-2,5-6,8-11H,3-4,7,12-16H2,(H,26,31)(H,27,34)
InChIKeyQIBMESGKYJWYHL-UHFFFAOYSA-N
XLogP2.34
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091004
N-(4-methylphenyl)-4-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091014
4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 92752235
4-[2-(3-methylbutylamino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091000
N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 22579766
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86923478
4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091025
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091082
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579762
N-(4-methylphenyl)-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091021
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide (CID 53091048) is N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide is O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)NCCCN1CCCC1=O.
What is the InChIKey of N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide?
The InChIKey is QIBMESGKYJWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c25-17-8-10-18(11-9-17)27-24(34)30-16-23(33)29(19-5-1-2-6-20(19)30)15-21(31)26-12-4-14-28-13-3-7-22(28)32/h1-2,5-6,8-11H,3-4,7,12-16H2,(H,26,31)(H,27,34).
What are the key properties of N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide?
N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53091048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).