N,N-diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine

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Basic information

Standard SMILES: CCN(CC)CCN1CCNc2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c23
InChIKey: ALZPIPCMTONTND-UHFFFAOYSA-N
Molecular formula: C22H27N5O3
Average molar mass: 409.5 g/mol
Monoisotopic mass: 409.21138974

Names & identifiers

Preferred name: N,N-diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine
IUPAC: N,N-diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine

Names & synonyms

NSC658356CHEMBL1988388NSC-658356NCI60_020485N,N-diethyl-2-[methoxy(nitro)[?]yl]ethanamine4-(2-(Diethylamino)ethyl)-7-(hydroxy(oxido)amino)-11-methoxy-2,3,4,8-tetrahydro[1,4]diazepino[5,6,7-kl]acridine

Database identifiers

PubChem CID: 377154
ChEMBL: CHEMBL1988388

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 86.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 584

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Compound notes

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