4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

C23H27N5O5 — CID 52943539

IUPAC4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(OC)cccc4nc3OC)CC2)c1
InChIInChI=1S/C23H27N5O5/c1-30-16-12-15(13-17(14-16)31-2)27-8-10-28(11-9-27)23(29)26-21-22(33-4)24-18-6-5-7-19(32-3)20(18)25-21/h5-7,12-14H,8-11H2,1-4H3,(H,25,26,29)
InChIKeyWGCRFVGVSDZENL-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.02
Rot. Bonds6

About 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 52943539) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID52943539
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(OC)cccc4nc3OC)CC2)c1
InChIInChI=1S/C23H27N5O5/c1-30-16-12-15(13-17(14-16)31-2)27-8-10-28(11-9-27)23(29)26-21-22(33-4)24-18-6-5-7-19(32-3)20(18)25-21/h5-7,12-14H,8-11H2,1-4H3,(H,25,26,29)
InChIKeyWGCRFVGVSDZENL-UHFFFAOYSA-N
XLogP3.02
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 52943539) is 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(OC)cccc4nc3OC)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is WGCRFVGVSDZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-30-16-12-15(13-17(14-16)31-2)27-8-10-28(11-9-27)23(29)26-21-22(33-4)24-18-6-5-7-19(32-3)20(18)25-21/h5-7,12-14H,8-11H2,1-4H3,(H,25,26,29).
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 52943539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).