methyl 8-methylisoquinoline-5-carboxylate

C12H11NO2 — CID 82574567

IUPACmethyl 8-methylisoquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C)c2cnccc12
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(12(14)15-2)9-5-6-13-7-11(8)9/h3-7H,1-2H3
InChIKeyLOFRAUCWKFSPFC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.33
Rot. Bonds1

About methyl 8-methylisoquinoline-5-carboxylate

methyl 8-methylisoquinoline-5-carboxylate (PubChem CID 82574567) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 8-methylisoquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-methylisoquinoline-5-carboxylate
PubChem CID82574567
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl 8-methylisoquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C)c2cnccc12
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(12(14)15-2)9-5-6-13-7-11(8)9/h3-7H,1-2H3
InChIKeyLOFRAUCWKFSPFC-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 8-methylisoquinoline-5-carboxylate 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

methyl 5-acetylisoquinoline-8-carboxylate
CID 146443452
1-(8-methylisoquinolin-5-yl)ethanone
CID 82576121
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 7-methyl-1,2-benzothiazole-4-carboxylate
CID 130064177
dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
CID 121010380
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 1,4-dimethylindazole-7-carboxylate
CID 58524149
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
CID 171812970
CID 171812970

Frequently Asked Questions

What is the IUPAC name of methyl 8-methylisoquinoline-5-carboxylate?
The IUPAC name of methyl 8-methylisoquinoline-5-carboxylate (CID 82574567) is methyl 8-methylisoquinoline-5-carboxylate.
What is the SMILES notation for methyl 8-methylisoquinoline-5-carboxylate?
The canonical SMILES for methyl 8-methylisoquinoline-5-carboxylate is COC(=O)c1ccc(C)c2cnccc12.
What is the InChIKey of methyl 8-methylisoquinoline-5-carboxylate?
The InChIKey is LOFRAUCWKFSPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-10(12(14)15-2)9-5-6-13-7-11(8)9/h3-7H,1-2H3.
What are the key properties of methyl 8-methylisoquinoline-5-carboxylate?
methyl 8-methylisoquinoline-5-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methylisoquinoline-5-carboxylate is sourced from PubChem (CID 82574567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).