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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Related Compounds

3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
CID 22585960
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
CID 46365225
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765078
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886350
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406

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).