Ethyl (1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)carbamate

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Basic information

CAS: 941960-79-8
Standard SMILES: CCOC(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C
InChIKey: DOWCJCGJYFVJMY-UHFFFAOYSA-N
Molecular formula: C16H22N2O3
Average molar mass: 290.36 g/mol
Monoisotopic mass: 290.16304257

Names & identifiers

Preferred name: Ethyl (1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)carbamate
IUPAC: ethyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate

Names & synonyms

941960-79-8Ethyl N-[1,2,3,4-tetrahydro-1-(2-methyl-1-oxopropyl)-6-quinolinyl]carbamateF2769-0206DTXSID101143440ethyl (1-isobutyryl-1,2,3,4-tetrahydroquinolin-6-yl)carbamateAKOS024679197ethyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamateVU0497508-1Ethyl [1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-6-yl]carbamateethyl N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-6-yl]carbamateCarbamic acid, N-[1,2,3,4-tetrahydro-1-(2-methyl-1-oxopropyl)-6-quinolinyl]-, ethyl ester

Database identifiers

CAS: 941960-79-8
PubChem CID: 7656793
DTXSID: DTXSID101143440

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 384

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Compound notes

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