1H-indole;2H-quinoline-1-carboxylic acid

C18H16N2O2 — CID 174897265

IUPAC1H-indole;2H-quinoline-1-carboxylic acid
SMILESO=C(O)N1CC=Cc2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9NO2.C8H7N/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;1-2-4-8-7(3-1)5-6-9-8/h1-6H,7H2,(H,12,13);1-6,9H
InChIKeyYYJKKQAGNBTYBC-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.37
Rot. Bonds

About 1H-indole;2H-quinoline-1-carboxylic acid

1H-indole;2H-quinoline-1-carboxylic acid (PubChem CID 174897265) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1H-indole;2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name1H-indole;2H-quinoline-1-carboxylic acid
PubChem CID174897265
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1H-indole;2H-quinoline-1-carboxylic acid
SMILESO=C(O)N1CC=Cc2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9NO2.C8H7N/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;1-2-4-8-7(3-1)5-6-9-8/h1-6H,7H2,(H,12,13);1-6,9H
InChIKeyYYJKKQAGNBTYBC-UHFFFAOYSA-N
XLogP4.37
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1H-indole;2H-quinoline-1-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

Frequently Asked Questions

What is the IUPAC name of 1H-indole;2H-quinoline-1-carboxylic acid?
The IUPAC name of 1H-indole;2H-quinoline-1-carboxylic acid (CID 174897265) is 1H-indole;2H-quinoline-1-carboxylic acid.
What is the SMILES notation for 1H-indole;2H-quinoline-1-carboxylic acid?
The canonical SMILES for 1H-indole;2H-quinoline-1-carboxylic acid is O=C(O)N1CC=Cc2ccccc21.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;2H-quinoline-1-carboxylic acid?
The InChIKey is YYJKKQAGNBTYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C8H7N/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11;1-2-4-8-7(3-1)5-6-9-8/h1-6H,7H2,(H,12,13);1-6,9H.
What are the key properties of 1H-indole;2H-quinoline-1-carboxylic acid?
1H-indole;2H-quinoline-1-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 4.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 174897265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).