Methyl 3-isoquinolinecarboxylate

C₁₁H₉NO₂CAS 27104-73-0187.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₉NO₂
Molar mass: 187.20 g/mol
Exact mass: 187.0633 Da
Melting point: 88–89 °C
logP: 2.02Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

27104-73-0

SMILES

COC(=O)c1cc2ccccc2cn1

InChIKey

ZBCGBIZQNMVMPC-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

3-Isoquinolinecarboxylic acid, methyl ester
3-(Methoxycarbonyl)isoquinoline

Work with Methyl 3-isoquinolinecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 Indole-3-acrylic acid1204-06-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0 trans-3-Indoleacrylic acid29953-71-7 3-Hydroxy-2-naphthalenecarboxamide3665-51-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook