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4-Chloro-6-methoxy-7-(3-morpholinopropoxy)cinnoline

HCID 21991059
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c(Cl)cnnc2cc1OCCCN1CCOCC1
InChIKey
FSJHRGVMCMBKPH-UHFFFAOYSA-N
Molecular formula
C16H20ClN3O3
Average molar mass
337.8 g/mol

Names & identifiers

Preferred name
4-Chloro-6-methoxy-7-(3-morpholinopropoxy)cinnoline
IUPAC
4-[3-(4-chloro-6-methoxycinnolin-7-yl)oxypropyl]morpholine

Names & synonyms

SCHEMBL6098975FSJHRGVMCMBKPH-UHFFFAOYSA-N4-chloro-6- methoxy-7-(3-morpholinopropoxy)cinnoline4-chloro-6-methoxy-7-(3-morpholinopropoxy)cinnoline

Database identifiers

PubChem CID
21991059

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
56.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
357

Related reactions

2 records
New reaction record
HRID 7482 reaction equation
HRID 7482As productuspto-grants-2006_08
HRID 1129661 reaction equation
HRID 1129661As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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