cinnoline-7-carboxylic acid

C9H6N2O2 — CID 115014244

IUPACcinnoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccnnc2c1
InChIInChI=1S/C9H6N2O2/c12-9(13)7-2-1-6-3-4-10-11-8(6)5-7/h1-5H,(H,12,13)
InChIKeyBGBYEABQWRVNAP-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.33
Rot. Bonds1

About cinnoline-7-carboxylic acid

cinnoline-7-carboxylic acid (PubChem CID 115014244) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is cinnoline-7-carboxylic acid.

Molecular Properties

Compound Namecinnoline-7-carboxylic acid
PubChem CID115014244
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Namecinnoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccnnc2c1
InChIInChI=1S/C9H6N2O2/c12-9(13)7-2-1-6-3-4-10-11-8(6)5-7/h1-5H,(H,12,13)
InChIKeyBGBYEABQWRVNAP-UHFFFAOYSA-N
XLogP1.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cinnoline-7-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 cinnoline-7-carboxylic acid?
The IUPAC name of cinnoline-7-carboxylic acid (CID 115014244) is cinnoline-7-carboxylic acid.
What is the SMILES notation for cinnoline-7-carboxylic acid?
The canonical SMILES for cinnoline-7-carboxylic acid is O=C(O)c1ccc2ccnnc2c1.
What is the InChIKey of cinnoline-7-carboxylic acid?
The InChIKey is BGBYEABQWRVNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)7-2-1-6-3-4-10-11-8(6)5-7/h1-5H,(H,12,13).
What are the key properties of cinnoline-7-carboxylic acid?
cinnoline-7-carboxylic acid has a molecular weight of 174.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline-7-carboxylic acid is sourced from PubChem (CID 115014244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).