2-(Dimethylamino)ethyl 10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridine-5-carboxylate

HCID 36688

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Basic information

Standard SMILES: CN(C)CCOC(=O)C1c2ccccc2CCc2ncccc21
InChIKey: RSQNNOVYZHXXIQ-UHFFFAOYSA-N
Molecular formula: C19H22N2O2
Average molar mass: 310.4 g/mol
Monoisotopic mass: 310.16812795

Names & identifiers

Preferred name: 2-(Dimethylamino)ethyl 10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridine-5-carboxylate
IUPAC: 2-(dimethylamino)ethyl 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate

Names & synonyms

DTXSID0013842612-(dimethylamino)ethyl 10,11-dihydro-5h-benzo[4,5]cyclohepta[1,2-b]pyridine-5-carboxylateAM-814/410910072-(Dimethylamino)ethyl 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate

Database identifiers

PubChem CID: 36688
DTXSID: DTXSID001384261

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 399

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