2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one

HCID 20152292
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Basic information

Standard SMILES
COc1ccc(-c2cc(=O)n3ccccc3n2)cc1OC
InChIKey
NGVUTRILHWQDDM-UHFFFAOYSA-N
Molecular formula
C16H14N2O3
Average molar mass
282.29 g/mol
Monoisotopic mass
282.10044231

Names & identifiers

Preferred name
2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
IUPAC
2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

Names & synonyms

CHEMBL2419772-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one103555-27-7SCHEMBL10690765NGVUTRILHWQDDM-UHFFFAOYSA-NBDBM502217562-(3,4-dimethoxyphenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine

Database identifiers

PubChem CID
20152292
ChEMBL
CHEMBL241977

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
51.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

Related reactions

1 records
New reaction record

Linked notes

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