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

C15H12N2O2 — CID 122203482

IUPAC3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccc(-c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)13-10-16-14-7-2-3-8-17(14)15(13)18/h2-10H,1H3
InChIKeyQPRCIGUCMLOYRQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.37
Rot. Bonds2

About 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 122203482) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID122203482
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccc(-c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)13-10-16-14-7-2-3-8-17(14)15(13)18/h2-10H,1H3
InChIKeyQPRCIGUCMLOYRQ-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 122203482) is 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is COc1cccc(-c2cnc3ccccn3c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QPRCIGUCMLOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)13-10-16-14-7-2-3-8-17(14)15(13)18/h2-10H,1H3.
What are the key properties of 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122203482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).