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

HCID 393068
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Basic information

Standard SMILES
CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1
InChIKey
VGNDLIWXFSMOLL-UHFFFAOYSA-N
Molecular formula
C26H25ClN4O4
Average molar mass
493 g/mol
Monoisotopic mass
492.156433

Names & identifiers

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

Names & synonyms

NSC694454CHEMBL570184SCHEMBL8107312VGNDLIWXFSMOLL-UHFFFAOYSA-NNSC-694454NCI60_0337831-(chloromethyl)-3-[[5-[2-(dimethylamino)ethoxy]indol-2-yl]carbonyl]-5-nitro-1,2-dihydro-3H-benz[e]indole

Database identifiers

PubChem CID
393068
ChEMBL
CHEMBL570184

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
94.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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