6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid

C17H13N3O2 — CID 4875333

IUPAC6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
SMILESCCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21
InChIInChI=1S/C17H13N3O2/c1-2-20-14-6-4-3-5-11(14)15-16(20)19-12-8-7-10(17(21)22)9-13(12)18-15/h3-9H,2H2,1H3,(H,21,22)
InChIKeyNSQNYRATCCZVAX-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.46
Rot. Bonds2

About 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid

6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid (PubChem CID 4875333) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
PubChem CID4875333
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
SMILESCCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21
InChIInChI=1S/C17H13N3O2/c1-2-20-14-6-4-3-5-11(14)15-16(20)19-12-8-7-10(17(21)22)9-13(12)18-15/h3-9H,2H2,1H3,(H,21,22)
InChIKeyNSQNYRATCCZVAX-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
2-(9-Ethyl-6-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
CID 90202558
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
4-(2-Amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid
CID 705209
Deoxyaminopteroic Acid
CID 72441
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
Methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130276131

Frequently Asked Questions

What is the IUPAC name of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The IUPAC name of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid (CID 4875333) is 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The canonical SMILES for 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid is CCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21.
What is the InChIKey of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The InChIKey is NSQNYRATCCZVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-20-14-6-4-3-5-11(14)15-16(20)19-12-8-7-10(17(21)22)9-13(12)18-15/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 4875333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).