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4-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-piperidinomethylquinazoline

HCID 22097629
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Basic information

Standard SMILES
COc1ccc(-c2nc(CN3CCCCC3)nc3cc(OC)c(OC)cc23)cc1OC
InChIKey
NSWBWIFCULERLA-UHFFFAOYSA-N
Molecular formula
C24H29N3O4
Average molar mass
423.5 g/mol

Names & identifiers

Preferred name
4-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-piperidinomethylquinazoline
IUPAC
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(piperidin-1-ylmethyl)quinazoline

Names & synonyms

SCHEMBL8136943NSWBWIFCULERLA-UHFFFAOYSA-N4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-piperidinomethylquinazoline

Database identifiers

PubChem CID
22097629

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
65.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Formal charge
0
Complexity
547

Related reactions

5 records
New reaction record
HRID 214425 reaction equation
HRID 214425As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 266138 reaction equation
HRID 266138As productuspto-grants-1997_07
HRID 862653 reaction equation
HRID 862653As productuspto-grants-1998_02
HRID 957401 reaction equation
HRID 957401As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1458942 reaction equation
HRID 1458942As productuspto-grants-1998_12

Compound notes

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