Methyl 1,4,4,6,7-pentamethyl-2-oxo-1,2,3,4-tetrahydro-3-quinolinecarboxylate

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Basic information

CAS: 7400-74-0
Standard SMILES: COC(=O)C1C(=O)N(C)c2cc(C)c(C)cc2C1(C)C
InChIKey: CUQQRIBPTJIEIC-UHFFFAOYSA-N
Molecular formula: C16H21NO3
Average molar mass: 275.34 g/mol
Monoisotopic mass: 275.15214353

Names & identifiers

Preferred name: Methyl 1,4,4,6,7-pentamethyl-2-oxo-1,2,3,4-tetrahydro-3-quinolinecarboxylate
IUPAC: methyl 1,4,4,6,7-pentamethyl-2-oxo-3H-quinoline-3-carboxylate

Names & synonyms

7400-74-0Methyl 1,4,4,6,7-pentamethyl-2-oxo-1,2,3,4-tetrahydro-3-quinolinecarboxylatemethyl 1,4,4,6,7-pentamethyl-2-oxo-3H-quinoline-3-carboxylateNSC3470591CA48NZ93NSC-34705NSC 34705UNII-91CA48NZ933-QUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1,4,4,6,7-PENTAMETHYL-2-OXO-, METHYL ESTER

Database identifiers

CAS: 7400-74-0
PubChem CID: 234574
UNII: 91CA48NZ93

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 418

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Compound notes

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