methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate

C22H23N5O3 — CID 46365225

IUPACmethyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C22H23N5O3/c1-26-11-13-27(14-12-26)20-19(23-17-9-5-6-10-18(17)24-20)21(28)25-16-8-4-3-7-15(16)22(29)30-2/h3-10H,11-14H2,1-2H3,(H,25,28)
InChIKeyWLTXBBPXWPITAO-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.42
Rot. Bonds4

About methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate

methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate (PubChem CID 46365225) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
PubChem CID46365225
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Namemethyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C22H23N5O3/c1-26-11-13-27(14-12-26)20-19(23-17-9-5-6-10-18(17)24-20)21(28)25-16-8-4-3-7-15(16)22(29)30-2/h3-10H,11-14H2,1-2H3,(H,25,28)
InChIKeyWLTXBBPXWPITAO-UHFFFAOYSA-N
XLogP2.42
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
CID 22585960
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
methyl 2-[(4-methylpiperazin-1-yl)carbamoylamino]benzoate
CID 971531
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate (CID 46365225) is methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N1CCN(C)CC1.
What is the InChIKey of methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate?
The InChIKey is WLTXBBPXWPITAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-26-11-13-27(14-12-26)20-19(23-17-9-5-6-10-18(17)24-20)21(28)25-16-8-4-3-7-15(16)22(29)30-2/h3-10H,11-14H2,1-2H3,(H,25,28).
What are the key properties of methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate?
methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate has a molecular weight of 405.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate is sourced from PubChem (CID 46365225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).