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2-(2-Bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazoline

HCID 22097584
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2nc(CCBr)nc3cc(OC)c(OC)cc23)cc1OC
InChIKey
XNEHDXALFUMQDO-UHFFFAOYSA-N
Molecular formula
C20H21BrN2O4
Average molar mass
433.3 g/mol

Names & identifiers

Preferred name
2-(2-Bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazoline
IUPAC
2-(2-bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazoline

Names & synonyms

SCHEMBL7825968XNEHDXALFUMQDO-UHFFFAOYSA-N2-(2-bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazoline

Database identifiers

PubChem CID
22097584

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Formal charge
0
Complexity
458

Related reactions

6 records
New reaction record
HRID 266122 reaction equation
HRID 266122As productuspto-grants-1997_07
HRID 266140 reaction equation
HRID 266140As reactantuspto-grants-1997_07
HRID 862654 reaction equation
HRID 862654As reactantuspto-grants-1998_02
HRID 1236237 reaction equation
HRID 1236237As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1458943 reaction equation
HRID 1458943As reactantuspto-grants-1998_12
HRID 2346876 reaction equation
HRID 2346876As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes