3-benzoylpyrido[1,2-a]pyrimidin-4-one

C15H10N2O2 — CID 2819120

IUPAC3-benzoylpyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H10N2O2/c18-14(11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-17(13)15(12)19/h1-10H
InChIKeyXAADHDTVMSCWEE-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.93
Rot. Bonds2

About 3-benzoylpyrido[1,2-a]pyrimidin-4-one

3-benzoylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2819120) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-benzoylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzoylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2819120
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name3-benzoylpyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H10N2O2/c18-14(11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-17(13)15(12)19/h1-10H
InChIKeyXAADHDTVMSCWEE-UHFFFAOYSA-N
XLogP1.93
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzoylpyrido[1,2-a]pyrimidin-4-one (CID 2819120) is 3-benzoylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzoylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzoylpyrido[1,2-a]pyrimidin-4-one is O=C(c1ccccc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 3-benzoylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XAADHDTVMSCWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-14(11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-17(13)15(12)19/h1-10H.
What are the key properties of 3-benzoylpyrido[1,2-a]pyrimidin-4-one?
3-benzoylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 250.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2819120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).