2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one

C17H16ClN3O2 — CID 17485395

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCOc1ccc(Cl)cc1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H16ClN3O2/c1-20(10-11-23-14-7-5-13(18)6-8-14)16-12-17(22)21-9-3-2-4-15(21)19-16/h2-9,12H,10-11H2,1H3
InChIKeyMZESSNOTNWANIS-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.86
Rot. Bonds5

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one

2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17485395) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17485395
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCOc1ccc(Cl)cc1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H16ClN3O2/c1-20(10-11-23-14-7-5-13(18)6-8-14)16-12-17(22)21-9-3-2-4-15(21)19-16/h2-9,12H,10-11H2,1H3
InChIKeyMZESSNOTNWANIS-UHFFFAOYSA-N
XLogP2.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one (CID 17485395) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one is CN(CCOc1ccc(Cl)cc1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MZESSNOTNWANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-20(10-11-23-14-7-5-13(18)6-8-14)16-12-17(22)21-9-3-2-4-15(21)19-16/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 329.79 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17485395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).