5-amino-1-(chloromethyl)-3-[[5-[2-(dimethylamino)ethoxy]indol-2-yl]carbonyl]-1,2-dihydro-3H-benz[e]indole

HCID 393070
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Basic information

Standard SMILES
CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1
InChIKey
NUGMNCLGYDTDOA-UHFFFAOYSA-N
Molecular formula
C26H27ClN4O2
Average molar mass
463 g/mol

Names & identifiers

Preferred name
5-amino-1-(chloromethyl)-3-[[5-[2-(dimethylamino)ethoxy]indol-2-yl]carbonyl]-1,2-dihydro-3H-benz[e]indole
IUPAC
[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone

Names & synonyms

NCI60_033784CHEMBL314487SCHEMBL8113421NUGMNCLGYDTDOA-UHFFFAOYSA-N5-amino-1-(chloromethyl)-3-[[5-[2-(dimethylamino)ethoxy]indol-2-yl]carbonyl]-1,2-dihydro-3H-benz[e]indole

Database identifiers

PubChem CID
393070
ChEMBL
CHEMBL314487
Nikkaji
J1.175.302G

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Compound notes

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