N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide

C22H25N5O — CID 46365230

IUPACN-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C22H25N5O/c1-15-7-6-8-16(2)19(15)25-22(28)20-21(27-13-11-26(3)12-14-27)24-18-10-5-4-9-17(18)23-20/h4-10H,11-14H2,1-3H3,(H,25,28)
InChIKeyAEMIIVSBYHXTMY-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.25
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide

N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (PubChem CID 46365230) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
PubChem CID46365230
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C22H25N5O/c1-15-7-6-8-16(2)19(15)25-22(28)20-21(27-13-11-26(3)12-14-27)24-18-10-5-4-9-17(18)23-20/h4-10H,11-14H2,1-3H3,(H,25,28)
InChIKeyAEMIIVSBYHXTMY-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (CID 46365230) is N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is Cc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The InChIKey is AEMIIVSBYHXTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-7-6-8-16(2)19(15)25-22(28)20-21(27-13-11-26(3)12-14-27)24-18-10-5-4-9-17(18)23-20/h4-10H,11-14H2,1-3H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).