3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C15H10N2O4 — CID 121384909

IUPAC3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc3c(c2)OCO3)cnc2c(O)cccn12
InChIInChI=1S/C15H10N2O4/c18-11-2-1-5-17-14(11)16-7-10(15(17)19)9-3-4-12-13(6-9)21-8-20-12/h1-7,18H,8H2
InChIKeyAYCCDKDIJPLEEC-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.80
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384909) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID121384909
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc3c(c2)OCO3)cnc2c(O)cccn12
InChIInChI=1S/C15H10N2O4/c18-11-2-1-5-17-14(11)16-7-10(15(17)19)9-3-4-12-13(6-9)21-8-20-12/h1-7,18H,8H2
InChIKeyAYCCDKDIJPLEEC-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine
CID 103095105
9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 23651681
9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
CID 15136156
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 1096448
3-(1,3-benzodioxol-5-yl)-6-hydroxychromen-2-one
CID 44562448
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine
CID 144787170
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
(Z)-4-[(3R)-5-(1,3-benzodioxol-5-yl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
CID 96563679
2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 42738420

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 121384909) is 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2ccc3c(c2)OCO3)cnc2c(O)cccn12.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AYCCDKDIJPLEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-11-2-1-5-17-14(11)16-7-10(15(17)19)9-3-4-12-13(6-9)21-8-20-12/h1-7,18H,8H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 282.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).