(10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl) acetate

HCID 273687

Notes Reactions

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Basic information

CAS: 2232-16-8
Standard SMILES: CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)NC4(C)CCC32)C1
InChIKey: BMRATVBKWIJONH-UHFFFAOYSA-N
Molecular formula: C21H31NO3
Average molar mass: 345.5 g/mol
Monoisotopic mass: 345.23039385

Names & identifiers

Preferred name: (10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl) acetate
IUPAC: (10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl) acetate

Names & synonyms

2232-16-8NSC119072Oprea1_538725DTXSID10944966NSC-1190722-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8-yl acetate

Database identifiers

CAS: 2232-16-8
PubChem CID: 273687
DTXSID: DTXSID10944966

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 25
Formal charge: 0
Complexity: 627

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