4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid

C11H9NO3 — CID 115063547

IUPAC4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid
SMILESCc1c[nH]c(=O)c2cc(C(=O)O)ccc12
InChIInChI=1S/C11H9NO3/c1-6-5-12-10(13)9-4-7(11(14)15)2-3-8(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeySZENDOOIYBVFGG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.53
Rot. Bonds1

About 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid

4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid (PubChem CID 115063547) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid
PubChem CID115063547
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid
SMILESCc1c[nH]c(=O)c2cc(C(=O)O)ccc12
InChIInChI=1S/C11H9NO3/c1-6-5-12-10(13)9-4-7(11(14)15)2-3-8(6)9/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeySZENDOOIYBVFGG-UHFFFAOYSA-N
XLogP1.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-oxo-2H-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

6-hydroxy-4-methyl-2H-isoquinolin-1-one
CID 68875608
4-methyl-2H-isoquinolin-1-one
CID 12695299
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
4-methyl-7-prop-1-ynyl-2H-isoquinolin-1-one
CID 142859656
1,3-dihydroxy-2H-isoindole-5-carboxylic acid
CID 170693608
7-ethyl-3-methyl-1H-indole-5-carboxylic acid
CID 83946499
1-methoxy-4-methylisoquinoline-7-carboxylic acid
CID 115063680
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
3-methyl-1-benzofuran-6-carboxylic acid
CID 69362460
2H-isoindole-5-carboxylic acid;dihydrochloride
CID 172725668

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid?
The IUPAC name of 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid (CID 115063547) is 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid.
What is the SMILES notation for 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid?
The canonical SMILES for 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid is Cc1c[nH]c(=O)c2cc(C(=O)O)ccc12.
What is the InChIKey of 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid?
The InChIKey is SZENDOOIYBVFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-5-12-10(13)9-4-7(11(14)15)2-3-8(6)9/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid?
4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid is sourced from PubChem (CID 115063547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).