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

C17H15ClN2O2 — CID 24996910

IUPAC3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-11-22-16-15(12-6-8-13(18)9-7-12)17(21)20-10-4-3-5-14(20)19-16/h3-10H,2,11H2,1H3
InChIKeyQRIHSFIKJPZJOU-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.80
Rot. Bonds4

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

3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 24996910) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID24996910
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-11-22-16-15(12-6-8-13(18)9-7-12)17(21)20-10-4-3-5-14(20)19-16/h3-10H,2,11H2,1H3
InChIKeyQRIHSFIKJPZJOU-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one (CID 24996910) is 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one is CCCOc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QRIHSFIKJPZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-11-22-16-15(12-6-8-13(18)9-7-12)17(21)20-10-4-3-5-14(20)19-16/h3-10H,2,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one?
3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24996910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).