methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate

C13H13NO4 — CID 132525931

IUPACmethyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
SMILESCOC(=O)c1c(C)n(OC)c(=O)c2ccccc12
InChIInChI=1S/C13H13NO4/c1-8-11(13(16)17-2)9-6-4-5-7-10(9)12(15)14(8)18-3/h4-7H,1-3H3
InChIKeyKEBBXFZRDVHVIB-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.15
Rot. Bonds2

About methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate

methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate (PubChem CID 132525931) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
PubChem CID132525931
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
SMILESCOC(=O)c1c(C)n(OC)c(=O)c2ccccc12
InChIInChI=1S/C13H13NO4/c1-8-11(13(16)17-2)9-6-4-5-7-10(9)12(15)14(8)18-3/h4-7H,1-3H3
InChIKeyKEBBXFZRDVHVIB-UHFFFAOYSA-N
XLogP1.15
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate
CID 151167949
methyl 5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-10-carboxylate
CID 24814270
methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate
CID 13090171
methyl 8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 67132488
methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
CID 101259134
4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate
CID 134090483
methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 22769956
dimethyl 1-oxoisochromene-3,4-dicarboxylate
CID 642350
methyl 2-methyl-1-[(2R)-1-oxopropan-2-yl]indole-3-carboxylate
CID 142590019
methyl 3-methyl-14-oxo-10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaene-21-carboxylate
CID 24814275
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate?
The IUPAC name of methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate (CID 132525931) is methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate?
The canonical SMILES for methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate is COC(=O)c1c(C)n(OC)c(=O)c2ccccc12.
What is the InChIKey of methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate?
The InChIKey is KEBBXFZRDVHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-11(13(16)17-2)9-6-4-5-7-10(9)12(15)14(8)18-3/h4-7H,1-3H3.
What are the key properties of methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate?
methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate is sourced from PubChem (CID 132525931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).