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2-(2-Ethoxyphenyl)-8-n-propylpyrido[3,2-d]pyrimidin-4(3H)-one

HCID 136176305
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1ccnc2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIKey
UYMYQMBMDFCEFZ-UHFFFAOYSA-N
Molecular formula
C18H19N3O2
Average molar mass
309.4 g/mol

Names & identifiers

Preferred name
2-(2-Ethoxyphenyl)-8-n-propylpyrido[3,2-d]pyrimidin-4(3H)-one
IUPAC
2-(2-ethoxyphenyl)-8-propyl-3H-pyrido[3,2-d]pyrimidin-4-one

Names & synonyms

2-(2-ethoxyphenyl)-8-n-propylpyrido-(3,2-d]pyrimidin-4(3H)-one2-(2-ethoxyphenyl)-8-n-propylpyrido-[3,2-d]pyrimidin-4(3H)-oneSCHEMBL7440676UYMYQMBMDFCEFZ-UHFFFAOYSA-N2-(2-Ethoxyphenyl)-8-n-propylpyrido[3,2-d]pyrimidin-4(3H)-one

Database identifiers

PubChem CID
136176305

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
452

Related reactions

6 records
New reaction record
HRID 232562 reaction equation
HRID 232562As reactantuspto-grants-1997_01
HRID 232569 reaction equation
HRID 232569As productuspto-grants-1997_01
HRID 1107307 reaction equation
HRID 1107307As reactantuspto-grants-2000_05
HRID 1544908 reaction equation
HRID 1544908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1936639 reaction equation
HRID 1936639As reactantuspto-grants-2002_05
HRID 1936699 reaction equation
HRID 1936699As productuspto-grants-2002_05

Compound notes

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