N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C23H27N5O3 — CID 52948333

IUPACN-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(OC)c(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)nc2c1
InChIInChI=1S/C23H27N5O3/c1-15-11-16(2)13-17(12-15)27-7-9-28(10-8-27)23(29)26-21-22(31-4)25-19-6-5-18(30-3)14-20(19)24-21/h5-6,11-14H,7-10H2,1-4H3,(H,24,26,29)
InChIKeyFGYGIYPNLQILIZ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.62
Rot. Bonds4

About N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 52948333) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID52948333
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(OC)c(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)nc2c1
InChIInChI=1S/C23H27N5O3/c1-15-11-16(2)13-17(12-15)27-7-9-28(10-8-27)23(29)26-21-22(31-4)25-19-6-5-18(30-3)14-20(19)24-21/h5-6,11-14H,7-10H2,1-4H3,(H,24,26,29)
InChIKeyFGYGIYPNLQILIZ-UHFFFAOYSA-N
XLogP3.62
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 52948333) is N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is COc1ccc2nc(OC)c(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)nc2c1.
What is the InChIKey of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is FGYGIYPNLQILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-11-16(2)13-17(12-15)27-7-9-28(10-8-27)23(29)26-21-22(31-4)25-19-6-5-18(30-3)14-20(19)24-21/h5-6,11-14H,7-10H2,1-4H3,(H,24,26,29).
What are the key properties of N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 52948333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).