isoquinoline-7-carboxylic acid

C10H7NO2 — CID 18468721

IUPACisoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccncc2c1
InChIInChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13)
InChIKeyQUFUUBBLCOBJPH-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.93
Rot. Bonds1

About isoquinoline-7-carboxylic acid

isoquinoline-7-carboxylic acid (PubChem CID 18468721) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is isoquinoline-7-carboxylic acid.

Molecular Properties

Compound Nameisoquinoline-7-carboxylic acid
PubChem CID18468721
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Nameisoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2ccncc2c1
InChIInChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13)
InChIKeyQUFUUBBLCOBJPH-UHFFFAOYSA-N
XLogP1.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze isoquinoline-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

Related Compounds

naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
isoquinoline-6-carboxamide;hydrochloride
CID 143697890
CID 67200510
CID 67200510
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
3-(isoquinolin-7-yloxymethyl)benzoic acid
CID 155153998
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
2-fluoro-3-isoquinolin-7-ylbut-2-enamide
CID 54428699
naphthalene-2-carboxylic acid
CID 175967775
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863

Frequently Asked Questions

What is the IUPAC name of isoquinoline-7-carboxylic acid?
The IUPAC name of isoquinoline-7-carboxylic acid (CID 18468721) is isoquinoline-7-carboxylic acid.
What is the SMILES notation for isoquinoline-7-carboxylic acid?
The canonical SMILES for isoquinoline-7-carboxylic acid is O=C(O)c1ccc2ccncc2c1.
What is the InChIKey of isoquinoline-7-carboxylic acid?
The InChIKey is QUFUUBBLCOBJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13).
What are the key properties of isoquinoline-7-carboxylic acid?
isoquinoline-7-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-7-carboxylic acid is sourced from PubChem (CID 18468721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).