2-methyl-1-oxoisoquinoline-3-carboxylic acid

C11H9NO3 — CID 2446736

IUPAC2-methyl-1-oxoisoquinoline-3-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-12-9(11(14)15)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3,(H,14,15)
InChIKeyKUTOFSHPQXLKGS-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.24
Rot. Bonds1

About 2-methyl-1-oxoisoquinoline-3-carboxylic acid

2-methyl-1-oxoisoquinoline-3-carboxylic acid (PubChem CID 2446736) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-1-oxoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-oxoisoquinoline-3-carboxylic acid
PubChem CID2446736
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-methyl-1-oxoisoquinoline-3-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-12-9(11(14)15)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3,(H,14,15)
InChIKeyKUTOFSHPQXLKGS-UHFFFAOYSA-N
XLogP1.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxoisoquinoline-3-carboxylic acid?
The IUPAC name of 2-methyl-1-oxoisoquinoline-3-carboxylic acid (CID 2446736) is 2-methyl-1-oxoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-oxoisoquinoline-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-oxoisoquinoline-3-carboxylic acid is Cn1c(C(=O)O)cc2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxoisoquinoline-3-carboxylic acid?
The InChIKey is KUTOFSHPQXLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-12-9(11(14)15)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3,(H,14,15).
What are the key properties of 2-methyl-1-oxoisoquinoline-3-carboxylic acid?
2-methyl-1-oxoisoquinoline-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 2446736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).