N-[5-Chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine

HCID 71269802
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Basic information

Standard SMILES
COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2cn(C)c3ccccc23)n1
InChIKey
XBCXCIDMAZABLS-UHFFFAOYSA-N
Molecular formula
C25H28ClN7O3
Average molar mass
510 g/mol

Names & identifiers

Preferred name
N-[5-Chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine
IUPAC
1-N-[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine

Names & synonyms

SCHEMBL14718347XBCXCIDMAZABLS-UHFFFAOYSA-NN-[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-N'-(2-dimethylamino-ethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamineN-[5-Chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine

Database identifiers

PubChem CID
71269802

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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