CAS 18450-24-3 ethyl 1-methyl-1H-indole-2-carboxylate (HCID 143368)

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Basic information

CAS: 18450-24-3
Standard SMILES: CCOC(=O)c1cc2ccccc2n1C
InChIKey: FRLLPWADCHCBBY-UHFFFAOYSA-N
Molecular formula: C12H13NO2
Average molar mass: 203.24 g/mol
Monoisotopic mass: 203.09462866

Names & identifiers

Preferred name: ethyl 1-methyl-1H-indole-2-carboxylate
IUPAC: ethyl 1-methylindole-2-carboxylate
English name: 2-(Ethoxycarbonyl)-N-Methylindole
Molecular formula: C12H13NO2
Molecular weight: 203.24

Names & synonyms

18450-24-3ethyl 1-methyl-1H-indole-2-carboxylateethyl 1-methylindole-2-carboxylateETHYL 1-METHYL-INDOLE-2-CARBOXYLATE1-methylindole-2-carboxylic acid ethyl ester56559-60-52-(ETHOXYCARBONYL)-N-METHYLINDOLEMFCD01926673Indole-3-carboxylic acid, 1-methyl-, ethyl ester2-(Ethoxycarbonyl)-N-methylindole; Ethyl 1-methyl-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 1-methyl-, ethyl esterNSC134575

Show more names

RARECHEM AL BI 08641-methyl-2-indolecarboxylic acid ethyl ester1-Methyl-1H-indole-2-carboxylic acid ethyl ester

ChemDiv3_015773SCHEMBL1092502SCHEMBL4493997SCHEMBL7304030DTXSID40205113HMS1517M21TAA45024SBB093141

Database identifiers

CAS: 18450-24-3、56559-60-5
PubChem CID: 143368
DTXSID: DTXSID40205113
Nikkaji: J350.895A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 31.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 242

Physicochemical properties

Melting point: 59 · 59-60 °C
Boiling point: 333.5 · 333.5±15.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)

Chemistry & industry

Applications

Uses2-(Ethoxycarbonyl)-N-methylindole has been used as a reactant for the preparation of indole based small molecules as anticancer agents through SIRT1 inhibition.