N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

HCID 2512
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Basic information

Standard SMILES
C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)CC21
InChIKey
KORNTPPJEAJQIU-UHFFFAOYSA-N
Molecular formula
C26H37N5O2
Average molar mass
451.6 g/mol

Overview

N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is an ergoline alkaloid.

Names & identifiers

Preferred name
N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
IUPAC
N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Names & synonyms

N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamideCabergoline-d5NCGC00167821-01CHEMBL1898147BDBM86052CHEBI:91795HMS3269L07HMS5085H111426173-20-7BHC17320GJB67633CAS_54746
Show more names
NSC_54746s5842L000974BRD-A63043573-001-01-6Q271635961-[(6-Allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)-propyl]-3-ethylurea

Database identifiers

PubChem CID
2512
ChEMBL
CHEMBL1898147
ChEBI
CHEBI:91795

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
71.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
33

Experimental & physicochemical properties

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Related reactions

2 records
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Compound notes

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