(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid

C17H13N3O2 — CID 40540812

IUPAC(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid
SMILESC[C@H](C(=O)O)n1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C17H13N3O2/c1-10(17(21)22)20-14-9-5-2-6-11(14)15-16(20)19-13-8-4-3-7-12(13)18-15/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChIKeySLNFWCCIWNPTMK-SNVBAGLBSA-N
MW291.31 g/mol
LogP3.38
Rot. Bonds2

About (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid

(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid (PubChem CID 40540812) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid
PubChem CID40540812
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid
SMILESC[C@H](C(=O)O)n1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C17H13N3O2/c1-10(17(21)22)20-14-9-5-2-6-11(14)15-16(20)19-13-8-4-3-7-12(13)18-15/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChIKeySLNFWCCIWNPTMK-SNVBAGLBSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid?
The IUPAC name of (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid (CID 40540812) is (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid.
What is the SMILES notation for (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid?
The canonical SMILES for (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid is C[C@H](C(=O)O)n1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid?
The InChIKey is SLNFWCCIWNPTMK-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10(17(21)22)20-14-9-5-2-6-11(14)15-16(20)19-13-8-4-3-7-12(13)18-15/h2-10H,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid?
(2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid has a molecular weight of 291.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-indolo[3,2-b]quinoxalin-6-ylpropanoic acid is sourced from PubChem (CID 40540812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).