Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(p-chlorophenyl)-, maleate

HCID 6445985

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Basic information

CAS: 53462-73-0
Standard SMILES: Clc1ccc(C2NCc3cccc4[nH]cc2c34)cc1.O=C(O)/C=C/C(=O)O
InChIKey: YEHVKIYFNWNGHQ-WLHGVMLRSA-N
Molecular formula: C20H17ClN2O4
Average molar mass: 384.8 g/mol
Monoisotopic mass: 384.0876847

Names & identifiers

Preferred name: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(p-chlorophenyl)-, maleate
IUPAC: (E)-but-2-enedioic acid;5-(4-chlorophenyl)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene

Names & synonyms

Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(p-chlorophenyl)-, maleate53462-73-0RefChem:10976741,3,4,5-Tetrahydro-3-(p-chlorophenyl)pyrrolo(4,3,2-de)isoquinoline maleate

Database identifiers

CAS: 53462-73-0
PubChem CID: 6445985

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 446

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