methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate

C16H11N3O2 — CID 57126543

IUPACmethyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate
SMILESCOC(=O)c1cccc2[nH]c3nc4ccccc4nc3c12
InChIInChI=1S/C16H11N3O2/c1-21-16(20)9-5-4-8-12-13(9)14-15(19-12)18-11-7-3-2-6-10(11)17-14/h2-8H,1H3,(H,18,19)
InChIKeyLFXAQZCJUVOXQT-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.05
Rot. Bonds1

About methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate

methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate (PubChem CID 57126543) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate.

Molecular Properties

Compound Namemethyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate
PubChem CID57126543
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Namemethyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate
SMILESCOC(=O)c1cccc2[nH]c3nc4ccccc4nc3c12
InChIInChI=1S/C16H11N3O2/c1-21-16(20)9-5-4-8-12-13(9)14-15(19-12)18-11-7-3-2-6-10(11)17-14/h2-8H,1H3,(H,18,19)
InChIKeyLFXAQZCJUVOXQT-UHFFFAOYSA-N
XLogP3.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
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methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
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methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
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di(113C)methyl benzene-1,2-dicarboxylate
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methyl 2-(1-methylsulfonylethyl)-1H-benzimidazole-4-carboxylate
CID 113422213
5-methoxycarbonyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 66595028
methyl 2-(1H-indol-2-yl)-1,3-benzoxazole-7-carboxylate
CID 66621353
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
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methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate?
The IUPAC name of methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate (CID 57126543) is methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate.
What is the SMILES notation for methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate?
The canonical SMILES for methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate is COC(=O)c1cccc2[nH]c3nc4ccccc4nc3c12.
What is the InChIKey of methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate?
The InChIKey is LFXAQZCJUVOXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-21-16(20)9-5-4-8-12-13(9)14-15(19-12)18-11-7-3-2-6-10(11)17-14/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate?
methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6H-indolo[3,2-b]quinoxaline-10-carboxylate is sourced from PubChem (CID 57126543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).