chempirical

Methyl 6-quinolinecarboxylate

C11H9NO2CAS 38896-30-9187.20 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C11H9NO2
Molar mass
187.20 g/mol
Exact mass
187.0633 Da
Melting point
85–86 °C
logP
2.02Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
38896-30-9
SMILES
COC(=O)c1ccc2ncccc2c1
InChIKey
XSRWQTDEIOHXSL-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3

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Names and synonyms

2 names
  • 6-Quinolinecarboxylic acid, methyl ester
  • 6-Carbomethoxyquinoline

Work with Methyl 6-quinolinecarboxylate

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

Similar compounds

Methyl 2-naphthoate2459-25-862 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-360 % similar 6-Quinolinecarboxylic acid10349-57-257 % similar Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-254 % similar Methyl 2,1,3-benzothiadiazole-5-carboxylate175204-21-454 % similar Methyl 2-chloroisonicotinate58481-11-154 % similar Dimethyl isophthalate1459-93-453 % similar Dimethyl terephthalate120-61-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 6-Amino-2-naphthoic acid116668-47-4 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 Methyl 3-isoquinolinecarboxylate27104-73-0

Elsewhere

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