2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one

C22H15ClN2O — CID 67547966

IUPAC2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccccc2)c(C=Cc2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C22H15ClN2O/c23-18-12-9-16(10-13-18)11-14-19-21(17-6-2-1-3-7-17)22(26)25-15-5-4-8-20(25)24-19/h1-15H
InChIKeyMOWBZAVXDWNQEZ-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.19
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one

2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 67547966) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID67547966
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccccc2)c(C=Cc2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C22H15ClN2O/c23-18-12-9-16(10-13-18)11-14-19-21(17-6-2-1-3-7-17)22(26)25-15-5-4-8-20(25)24-19/h1-15H
InChIKeyMOWBZAVXDWNQEZ-UHFFFAOYSA-N
XLogP5.19
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one (CID 67547966) is 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2ccccc2)c(C=Cc2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MOWBZAVXDWNQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-12-9-16(10-13-18)11-14-19-21(17-6-2-1-3-7-17)22(26)25-15-5-4-8-20(25)24-19/h1-15H.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?
2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.83 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67547966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).