5-Chloro-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline

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Basic information

CAS: 82-53-1
Standard SMILES: COc1c2c(cc3c1C(Cl)N(C)CC3)OCO2
InChIKey: HPBRMFQOXRVCHD-UHFFFAOYSA-N
Molecular formula: C12H14ClNO3
Average molar mass: 255.7 g/mol
Monoisotopic mass: 255.066221

Names & identifiers

Preferred name: 5-Chloro-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline
IUPAC: 5-chloro-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Names & synonyms

1,5-g]isoquinoline, 5-chloro-5,6,7,8-tetrahydro-4-methoxy-6-methyl-NSC5363SCHEMBL735191DTXSID10277963NSC-5363NSC166308NSC-1663085-Chloro-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline5-Chloro-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline

Database identifiers

CAS: 82-53-1
PubChem CID: 221189
DTXSID: DTXSID10277963

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 30.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 291

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Compound notes

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