2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C16H14N2O4 — CID 23625826

IUPAC2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cccc(O)c3n2)cc1OC
InChIInChI=1S/C16H14N2O4/c1-21-13-6-5-10(8-14(13)22-2)11-9-15(20)18-7-3-4-12(19)16(18)17-11/h3-9,19H,1-2H3
InChIKeyGBKLJPHQWDJTEH-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.08
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 23625826) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID23625826
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cccc(O)c3n2)cc1OC
InChIInChI=1S/C16H14N2O4/c1-21-13-6-5-10(8-14(13)22-2)11-9-15(20)18-7-3-4-12(19)16(18)17-11/h3-9,19H,1-2H3
InChIKeyGBKLJPHQWDJTEH-UHFFFAOYSA-N
XLogP2.08
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 23625826) is 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cccc(O)c3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBKLJPHQWDJTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-13-6-5-10(8-14(13)22-2)11-9-15(20)18-7-3-4-12(19)16(18)17-11/h3-9,19H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 298.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23625826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).