2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid

C15H8ClN3O2 — CID 71347196

IUPAC2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2nc3c(nc12)[nH]c1ccccc13
InChIInChI=1S/C15H8ClN3O2/c16-7-5-9(15(20)21)12-11(6-7)17-13-8-3-1-2-4-10(8)18-14(13)19-12/h1-6H,(H,18,19)(H,20,21)
InChIKeyCEXCKIBPXRGBBE-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.62
Rot. Bonds1

About 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid

2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid (PubChem CID 71347196) has the molecular formula C15H8ClN3O2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid
PubChem CID71347196
Molecular FormulaC15H8ClN3O2
Molecular Weight297.70 g/mol
Exact Mass297.03
IUPAC Name2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2nc3c(nc12)[nH]c1ccccc13
InChIInChI=1S/C15H8ClN3O2/c16-7-5-9(15(20)21)12-11(6-7)17-13-8-3-1-2-4-10(8)18-14(13)19-12/h1-6H,(H,18,19)(H,20,21)
InChIKeyCEXCKIBPXRGBBE-UHFFFAOYSA-N
XLogP3.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6H-indolo[3,2-b]quinoxaline-8-carboxylic acid
CID 68570338
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211
2,4,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaene
CID 5357496
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
11-chloro-10H-indolo[3,2-b]quinoline-9-carboxylic acid
CID 56651415
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
6-chloro-2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946580
2-bromo-10H-indolo[3,2-b]quinoline-11-carbonyl chloride
CID 10713509
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
1-chloro-9H-carbazole-3,4-dicarboxylic acid
CID 67894705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid?
The IUPAC name of 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid (CID 71347196) is 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid?
The canonical SMILES for 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid is O=C(O)c1cc(Cl)cc2nc3c(nc12)[nH]c1ccccc13.
What is the InChIKey of 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid?
The InChIKey is CEXCKIBPXRGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2/c16-7-5-9(15(20)21)12-11(6-7)17-13-8-3-1-2-4-10(8)18-14(13)19-12/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid?
2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid has a molecular weight of 297.70 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6H-indolo[3,2-b]quinoxaline-4-carboxylic acid is sourced from PubChem (CID 71347196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).