(2E)-3-[(11S)-6-amino-11-methyl-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-3-yl]-N,N-dimethylprop-2-enamide

HCID 67156540

Basic information

Standard SMILES
C[C@H]1COCc2nc3c(N)nc4cc(/C=C/C(=O)N(C)C)ccc4c3n21
InChIKey
ZKNASHFKDZXXPW-ZRQQLDRUSA-N
Molecular formula
C19H21N5O2
Average molar mass
351.4 g/mol
Monoisotopic mass
351.16952493

Names & identifiers

Preferred name
(2E)-3-[(11S)-6-amino-11-methyl-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-3-yl]-N,N-dimethylprop-2-enamide
IUPAC
(E)-3-[(16S)-9-amino-16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl]-N,N-dimethylprop-2-enamide

Names & synonyms

SCHEMBL1774266ZKNASHFKDZXXPW-ZRQQLDRUSA-N(2E)-3-[(11S)-6-amino-11-methyl-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-3-yl]-N,N-dimethylprop-2-enamide

Database identifiers

PubChem CID
67156540

Properties

Computed structural properties

XLogP
1
Topological polar surface area
86.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

Related reactions

6 records

Compound notes

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