(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide

C25H27N5O4 — CID 51653166

IUPAC(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4nc3N3CCCC3)CC2=O)cc1OC
InChIInChI=1S/C25H27N5O4/c1-33-20-10-9-17(14-21(20)34-2)30-15-16(13-22(30)31)25(32)28-23-24(29-11-5-6-12-29)27-19-8-4-3-7-18(19)26-23/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3,(H,26,28,32)/t16-/m0/s1
InChIKeyGODXEQCCWCAVMO-INIZCTEOSA-N
MW461.52 g/mol
LogP3.24
Rot. Bonds6

About (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide

(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 51653166) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
PubChem CID51653166
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4nc3N3CCCC3)CC2=O)cc1OC
InChIInChI=1S/C25H27N5O4/c1-33-20-10-9-17(14-21(20)34-2)30-15-16(13-22(30)31)25(32)28-23-24(29-11-5-6-12-29)27-19-8-4-3-7-18(19)26-23/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3,(H,26,28,32)/t16-/m0/s1
InChIKeyGODXEQCCWCAVMO-INIZCTEOSA-N
XLogP3.24
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 55608009
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 110609757
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 46569487
1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55647597
(3S)-1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933943
N-(1H-benzimidazol-2-yl)-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650160
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide (CID 51653166) is (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4nc3N3CCCC3)CC2=O)cc1OC.
What is the InChIKey of (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is GODXEQCCWCAVMO-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-33-20-10-9-17(14-21(20)34-2)30-15-16(13-22(30)31)25(32)28-23-24(29-11-5-6-12-29)27-19-8-4-3-7-18(19)26-23/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3,(H,26,28,32)/t16-/m0/s1.
What are the key properties of (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51653166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).