5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide

C25H20N4O2 — CID 2977579

IUPAC5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnc3ccccc3n2)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H20N4O2/c30-24-14-18(16-29(24)20-9-2-1-3-10-20)25(31)27-19-8-6-7-17(13-19)23-15-26-21-11-4-5-12-22(21)28-23/h1-13,15,18H,14,16H2,(H,27,31)
InChIKeyBOINGCJLBZCWDP-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.29
Rot. Bonds4

About 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 2977579) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID2977579
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnc3ccccc3n2)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H20N4O2/c30-24-14-18(16-29(24)20-9-2-1-3-10-20)25(31)27-19-8-6-7-17(13-19)23-15-26-21-11-4-5-12-22(21)28-23/h1-13,15,18H,14,16H2,(H,27,31)
InChIKeyBOINGCJLBZCWDP-UHFFFAOYSA-N
XLogP4.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide (CID 2977579) is 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BOINGCJLBZCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24-14-18(16-29(24)20-9-2-1-3-10-20)25(31)27-19-8-6-7-17(13-19)23-15-26-21-11-4-5-12-22(21)28-23/h1-13,15,18H,14,16H2,(H,27,31).
What are the key properties of 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-(3-quinoxalin-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2977579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).