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

C23H27N5O5 — CID 57394450

IUPAC4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cccc(OC)c4nc3OC)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)25-20-18(24-21)6-5-7-19(20)32-3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29)
InChIKeyDBMGWDWXVYIMIH-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.02
Rot. Bonds6

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

4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 57394450) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID57394450
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cccc(OC)c4nc3OC)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)25-20-18(24-21)6-5-7-19(20)32-3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29)
InChIKeyDBMGWDWXVYIMIH-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-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

Supinoxin
CID 11619093
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
1-[(6-Chloro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 52943473
1-[(2-Methoxy-6-methylquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 52944097
1-[(2,6-Dimethoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 52948333
1-[(3,6-Dimethoxyquinoxalin-2-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 57401424
N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
CID 2452347
4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 52943539
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 52949646
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-5-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 57390930
N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 57392727

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 57394450) is 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cccc(OC)c4nc3OC)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is DBMGWDWXVYIMIH-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)25-20-18(24-21)6-5-7-19(20)32-3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29).
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-(3,5-dimethoxyphenyl)-N-(3,5-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-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 57394450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).