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4-Chloro-6-methoxy-7-(2-piperidinoethoxy)quinazoline

HCID 11088541
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c(Cl)ncnc2cc1OCCN1CCCCC1
InChIKey
WPMSXPAMAXNTHN-UHFFFAOYSA-N
Molecular formula
C16H20ClN3O2
Average molar mass
321.8 g/mol

Names & identifiers

Preferred name
4-Chloro-6-methoxy-7-(2-piperidinoethoxy)quinazoline
IUPAC
4-chloro-6-methoxy-7-(2-piperidin-1-ylethoxy)quinazoline

Names & synonyms

4-chloro-6-methoxy-7-(2-piperidinoethoxy)quinazoline288384-77-0SCHEMBL4379458WPMSXPAMAXNTHN-UHFFFAOYSA-NDB-332235

Database identifiers

PubChem CID
11088541

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
47.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
341

Related reactions

7 records
New reaction record
HRID 454175 reaction equation
HRID 454175As productuspto-grants-2013_07
HRID 454192 reaction equation
HRID 454192As reactantuspto-grants-2013_07
HRID 454306 reaction equation
HRID 454306As reactantuspto-grants-2013_07
HRID 681888 reaction equation
HRID 681888As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1791701 reaction equation
HRID 1791701As productuspto-grants-2006_07
HRID 1791717 reaction equation
HRID 1791717As reactantuspto-grants-2006_07
HRID 1791825 reaction equation
HRID 1791825As reactantuspto-grants-2006_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes