methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate

C22H24N4O2 — CID 50765078

IUPACmethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-10-19(16(15)2)25-11-13-26(14-12-25)21-20(22(27)28-3)23-17-8-4-5-9-18(17)24-21/h4-10H,11-14H2,1-3H3
InChIKeyMESZKAOWJMBUGW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.36
Rot. Bonds3

About methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate

methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate (PubChem CID 50765078) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
PubChem CID50765078
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Namemethyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-10-19(16(15)2)25-11-13-26(14-12-25)21-20(22(27)28-3)23-17-8-4-5-9-18(17)24-21/h4-10H,11-14H2,1-3H3
InChIKeyMESZKAOWJMBUGW-UHFFFAOYSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4,4-difluoroazepan-1-yl)quinoxaline-2-carboxylate
CID 169264265
ethyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50764980
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate
CID 50765071
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
CID 22332615
ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765029
hexyl (2S)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate
CID 40894937
methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
CID 46365225
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
1-(azepan-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropane-1,3-dione
CID 108965457

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The IUPAC name of methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate (CID 50765078) is methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The canonical SMILES for methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate is COC(=O)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The InChIKey is MESZKAOWJMBUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-6-10-19(16(15)2)25-11-13-26(14-12-25)21-20(22(27)28-3)23-17-8-4-5-9-18(17)24-21/h4-10H,11-14H2,1-3H3.
What are the key properties of methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate?
methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate is sourced from PubChem (CID 50765078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).