3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C16H14Cl2N2O — CID 20568859

IUPAC3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1nc2ccccn2c(=O)c1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H13ClN2O.ClH/c1-11-14(10-12-5-7-13(17)8-6-12)16(20)19-9-3-2-4-15(19)18-11;/h2-9H,10H2,1H3;1H
InChIKeyDYSDMBLXLHHEHU-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.67
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 20568859) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID20568859
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1nc2ccccn2c(=O)c1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H13ClN2O.ClH/c1-11-14(10-12-5-7-13(17)8-6-12)16(20)19-9-3-2-4-15(19)18-11;/h2-9H,10H2,1H3;1H
InChIKeyDYSDMBLXLHHEHU-UHFFFAOYSA-N
XLogP3.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417
2-(4-Chlorophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10563061
7-Bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310092
4H-Pyrazino(1,2-a)pyrimidin-4-one, 3-(p-chlorophenyl)-2-hydroxy-
CID 135602152
2-[[(2,4-Dichlorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45851557
2-(2-(2-chloro-6-fluorophenyl)acetyl)-8-fluoro-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632605
6-[2-(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 87052424
7-[2-(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53183983
(6Z)-12-chloro-6-[(4-fluorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280212
2-butyl-3-(4-chloro-3-fluorophenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24993437
3-(4-chlorophenyl)-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24993438
2-Butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24994365

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 20568859) is 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1nc2ccccn2c(=O)c1Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is DYSDMBLXLHHEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.ClH/c1-11-14(10-12-5-7-13(17)8-6-12)16(20)19-9-3-2-4-15(19)18-11;/h2-9H,10H2,1H3;1H.
What are the key properties of 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 321.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 20568859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).