2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide

C28H24F2N4O2 — CID 22588028

IUPAC2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H24F2N4O2/c29-21-9-4-18(5-10-21)26-27(19-6-11-22(30)12-7-19)33-24-17-20(8-13-23(24)32-26)28(36)31-14-2-16-34-15-1-3-25(34)35/h4-13,17H,1-3,14-16H2,(H,31,36)
InChIKeyVGUCROPWJQHPQN-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.98
Rot. Bonds7

About 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide

2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide (PubChem CID 22588028) has the molecular formula C28H24F2N4O2 and a molecular weight of 486.52 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
PubChem CID22588028
Molecular FormulaC28H24F2N4O2
Molecular Weight486.52 g/mol
Exact Mass486.19
IUPAC Name2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H24F2N4O2/c29-21-9-4-18(5-10-21)26-27(19-6-11-22(30)12-7-19)33-24-17-20(8-13-23(24)32-26)28(36)31-14-2-16-34-15-1-3-25(34)35/h4-13,17H,1-3,14-16H2,(H,31,36)
InChIKeyVGUCROPWJQHPQN-UHFFFAOYSA-N
XLogP4.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
N-butyl-4-[8-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 91183129
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
2-(1H-indazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 135750628
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 122569048
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide (CID 22588028) is 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide?
The InChIKey is VGUCROPWJQHPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4O2/c29-21-9-4-18(5-10-21)26-27(19-6-11-22(30)12-7-19)33-24-17-20(8-13-23(24)32-26)28(36)31-14-2-16-34-15-1-3-25(34)35/h4-13,17H,1-3,14-16H2,(H,31,36).
What are the key properties of 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide?
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 22588028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).