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E-8-(4-Acetoxy-3-methoxybenzylidene)-5,6,7,8-tetrahydro-4-methylquinoline

HCID 10245630
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(/C=C2\CCCc3c(C)ccnc32)ccc1OC(C)=O
InChIKey
SAVVVXNROFBLJF-LFIBNONCSA-N
Molecular formula
C20H21NO3
Average molar mass
323.4 g/mol

Names & identifiers

Preferred name
E-8-(4-Acetoxy-3-methoxybenzylidene)-5,6,7,8-tetrahydro-4-methylquinoline
IUPAC
[2-methoxy-4-[(E)-(4-methyl-6,7-dihydro-5H-quinolin-8-ylidene)methyl]phenyl] acetate

Names & synonyms

CHEMBL35063SCHEMBL11014886SAVVVXNROFBLJF-LFIBNONCSA-NE-8-(4-Acetoxy-3-methoxybenzylidene)-5,6,7,8-tetrahydro-4-methylquinoline

Database identifiers

PubChem CID
10245630
ChEMBL
CHEMBL35063
Nikkaji
J654.472J

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
476

Related reactions

2 records
New reaction record
HRID 464322 reaction equation
HRID 464322As productuspto-grants-1985_10
HRID 464323 reaction equation
HRID 464323As reactantuspto-grants-1985_10

Compound notes

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