2-indolo[3,2-b]quinoxalin-6-ylacetic acid

C16H11N3O2 — CID 615961

IUPAC2-indolo[3,2-b]quinoxalin-6-ylacetic acid
SMILESO=C(O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C16H11N3O2/c20-14(21)9-19-13-8-4-1-5-10(13)15-16(19)18-12-7-3-2-6-11(12)17-15/h1-8H,9H2,(H,20,21)
InChIKeyFGDLTDGMACYSMB-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.82
Rot. Bonds2

About 2-indolo[3,2-b]quinoxalin-6-ylacetic acid

2-indolo[3,2-b]quinoxalin-6-ylacetic acid (PubChem CID 615961) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-indolo[3,2-b]quinoxalin-6-ylacetic acid.

Molecular Properties

Compound Name2-indolo[3,2-b]quinoxalin-6-ylacetic acid
PubChem CID615961
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-indolo[3,2-b]quinoxalin-6-ylacetic acid
SMILESO=C(O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C16H11N3O2/c20-14(21)9-19-13-8-4-1-5-10(13)15-16(19)18-12-7-3-2-6-11(12)17-15/h1-8H,9H2,(H,20,21)
InChIKeyFGDLTDGMACYSMB-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52944297
Diethyl-(2-indolo[2,3-b]quinoxalin-6-yl-ethyl)-amine
CID 816945
6-Acetyl-6-indolo[2,3-b]quinoxaline
CID 254365
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Frequently Asked Questions

What is the IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylacetic acid?
The IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylacetic acid (CID 615961) is 2-indolo[3,2-b]quinoxalin-6-ylacetic acid.
What is the SMILES notation for 2-indolo[3,2-b]quinoxalin-6-ylacetic acid?
The canonical SMILES for 2-indolo[3,2-b]quinoxalin-6-ylacetic acid is O=C(O)Cn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 2-indolo[3,2-b]quinoxalin-6-ylacetic acid?
The InChIKey is FGDLTDGMACYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-14(21)9-19-13-8-4-1-5-10(13)15-16(19)18-12-7-3-2-6-11(12)17-15/h1-8H,9H2,(H,20,21).
What are the key properties of 2-indolo[3,2-b]quinoxalin-6-ylacetic acid?
2-indolo[3,2-b]quinoxalin-6-ylacetic acid has a molecular weight of 277.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolo[3,2-b]quinoxalin-6-ylacetic acid is sourced from PubChem (CID 615961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).