2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid

C13H13NO4 — CID 82366704

IUPAC2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid
SMILESCOCn1c(C(=O)O)cc2cc(C)ccc2c1=O
InChIInChI=1S/C13H13NO4/c1-8-3-4-10-9(5-8)6-11(13(16)17)14(7-18-2)12(10)15/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyHCNMRGHIXOIABD-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.61
Rot. Bonds3

About 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid

2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid (PubChem CID 82366704) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid
PubChem CID82366704
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid
SMILESCOCn1c(C(=O)O)cc2cc(C)ccc2c1=O
InChIInChI=1S/C13H13NO4/c1-8-3-4-10-9(5-8)6-11(13(16)17)14(7-18-2)12(10)15/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyHCNMRGHIXOIABD-UHFFFAOYSA-N
XLogP1.61
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-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-methyl-1-oxo-2-(2-oxopropyl)isoquinoline-3-carboxylic acid
CID 82366705
2-(2-amino-2-oxoethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid
CID 82366688
2,6-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 173096612
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
2-(2-amino-2-oxoethyl)-1-oxoisoquinoline-3-carboxylic acid
CID 82366655
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
6-methyl-2-[(4-methylphenyl)methyl]-3-phenylisoquinolin-1-one
CID 10449864
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175952664
methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
CID 170904125
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
7-fluoro-1-oxo-2-propylisoquinoline-3-carboxylic acid
CID 172904081

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid (CID 82366704) is 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid is COCn1c(C(=O)O)cc2cc(C)ccc2c1=O.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid?
The InChIKey is HCNMRGHIXOIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-3-4-10-9(5-8)6-11(13(16)17)14(7-18-2)12(10)15/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid?
2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-1-oxoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 82366704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).