Makaluvamine P

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Basic information

CAS: 377085-54-6
Standard SMILES: Cn1cc2c3c1C(=O)C(NCCc1ccc(O)cc1)=CC3=[N+](C)CC2
InChIKey: OLEMIURMTKKFSE-UHFFFAOYSA-O
Molecular formula: C20H22N3O2+
Average molar mass: 336.4 g/mol
Monoisotopic mass: 336.17120195

Overview

Makaluvamine P is a member of indoles.

Names & identifiers

Preferred name: Makaluvamine P
IUPAC: 10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one

Names & synonyms

Makaluvamine P377085-54-610-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2-aza-7-azoniatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one10-(2-(4-hydroxyphenyl)ethylamino)-2,7-dimethyl-2-aza-7-azoniatricyclo(6.3.1.04,12)dodeca-1(12),3,7,9-tetraen-11-oneRefChem:155339CHEMBL538608Pyrrolo(4,3,2-de)quinolinium, 1,3,4,8-tetrahydro-7-((2-(4-hydroxyphenyl)ethyl)amino)-1,5-dimethyl-8-oxo-Pyrrolo[4,3,2-de]quinolinium, 1,3,4,8-tetrahydro-7-[[2-(4-hydroxyphenyl)ethyl]amino]-1,5-dimethyl-8-oxo-CHEMBL489345SCHEMBL6400201DTXSID50958749CHEBI:181130

Show more names

BDBM50377926[2-(4-hydroxyphenyl)ethylamino]-dimethyl-[?]oneN-[2-(4-Hydroxyphenyl)ethyl]-1,5-dimethyl-8-oxo-1,4,5,8-tetrahydropyrrolo[4,3,2-de]quinolin-7(3H)-iminium

Database identifiers

CAS: 377085-54-6
PubChem CID: 467086
DTXSID: DTXSID50958749
ChEMBL: CHEMBL489345、CHEMBL538608
ChEBI: CHEBI:181130
Nikkaji: J1.625.401K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 1
Complexity: 604

Related reactions

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Compound notes

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