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

C17H15ClN2O2 — CID 24996911

IUPAC3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-11-9-14-16(12-5-7-13(18)8-6-12)17(21)20-10-3-2-4-15(20)19-14/h2-8,10H,9,11H2,1H3
InChIKeyXMHYGYPVHNFOHG-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.20
Rot. Bonds4

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

3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24996911) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID24996911
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-11-9-14-16(12-5-7-13(18)8-6-12)17(21)20-10-3-2-4-15(20)19-14/h2-8,10H,9,11H2,1H3
InChIKeyXMHYGYPVHNFOHG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 24996910
[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]carbamic acid
CID 68854322
2-[2-(4-chlorophenyl)ethenyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
CID 67547966
2-butyl-3-[4-(1H-pyrrol-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 141214870
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553
2-(4-chlorophenyl)pyrido[1,2-a][1,3,5]triazin-4-one
CID 15209201
3-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine
CID 130909325
(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 24993747
2-(3-methylbutyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24995931
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
CID 79438112
2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 18918811
2-butyl-3-[4-[[(3S)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 68854548

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one (CID 24996911) is 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one is COCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XMHYGYPVHNFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-11-9-14-16(12-5-7-13(18)8-6-12)17(21)20-10-3-2-4-15(20)19-14/h2-8,10H,9,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.77 g/mol, XLogP of 3.20, 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-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24996911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).