7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

C16H13ClN2O — CID 53310096

IUPAC7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESCc1ccc(Cc2cn3cc(Cl)ccc3nc2=O)cc1
InChIInChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)8-13-9-19-10-14(17)6-7-15(19)18-16(13)20/h2-7,9-10H,8H2,1H3
InChIKeyUJCJRSKQFIKJMJ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.25
Rot. Bonds2

About 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53310096) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53310096
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESCc1ccc(Cc2cn3cc(Cl)ccc3nc2=O)cc1
InChIInChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)8-13-9-19-10-14(17)6-7-15(19)18-16(13)20/h2-7,9-10H,8H2,1H3
InChIKeyUJCJRSKQFIKJMJ-UHFFFAOYSA-N
XLogP3.25
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203481
7-Bromo-3-[(4-chlorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310092
7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950
9-Amino-3-benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666049
3-Benzyl-7-bromopyrido[1,2-a]pyrimidin-2-one
CID 53309948
3-[(4-Fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309949
3-Benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666043
7-Chloro-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666048
3-(p-(Trifluoromethyl)phenyl)-4H-pyrido[1,2-a]pyrimidine-4-one
CID 56590882
3-[4-(Trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 141326779
7-Bromo-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310090
3-benzyl-7-chloro-1-ethyl-2-oxo-2H-pyrimido[1,2-b]pyridazin-1-ium-4-olate
CID 1042774

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53310096) is 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is Cc1ccc(Cc2cn3cc(Cl)ccc3nc2=O)cc1.
What is the InChIKey of 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is UJCJRSKQFIKJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-2-4-12(5-3-11)8-13-9-19-10-14(17)6-7-15(19)18-16(13)20/h2-7,9-10H,8H2,1H3.
What are the key properties of 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 284.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53310096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).