1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide

C24H25N5O2 — CID 154759959

IUPAC1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H25N5O2/c30-21-14-18(16-29(21)15-17-8-2-1-3-9-17)24(31)27-22-23(28-12-6-7-13-28)26-20-11-5-4-10-19(20)25-22/h1-5,8-11,18H,6-7,12-16H2,(H,25,27,31)
InChIKeyNYCWHYHWTSUFIG-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.22
Rot. Bonds5

About 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 154759959) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
PubChem CID154759959
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H25N5O2/c30-21-14-18(16-29(21)15-17-8-2-1-3-9-17)24(31)27-22-23(28-12-6-7-13-28)26-20-11-5-4-10-19(20)25-22/h1-5,8-11,18H,6-7,12-16H2,(H,25,27,31)
InChIKeyNYCWHYHWTSUFIG-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide (CID 154759959) is 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NYCWHYHWTSUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-21-14-18(16-29(21)15-17-8-2-1-3-9-17)24(31)27-22-23(28-12-6-7-13-28)26-20-11-5-4-10-19(20)25-22/h1-5,8-11,18H,6-7,12-16H2,(H,25,27,31).
What are the key properties of 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).