9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one

C16H15ClN2O2 — CID 10266940

IUPAC9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
SMILESCN1CCCn2c1c(C(=O)c1ccc(Cl)cc1)ccc2=O
InChIInChI=1S/C16H15ClN2O2/c1-18-9-2-10-19-14(20)8-7-13(16(18)19)15(21)11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3
InChIKeyADUSJLCLBRJYDY-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.57
Rot. Bonds2

About 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one

9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one (PubChem CID 10266940) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
PubChem CID10266940
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
SMILESCN1CCCn2c1c(C(=O)c1ccc(Cl)cc1)ccc2=O
InChIInChI=1S/C16H15ClN2O2/c1-18-9-2-10-19-14(20)8-7-13(16(18)19)15(21)11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3
InChIKeyADUSJLCLBRJYDY-UHFFFAOYSA-N
XLogP2.57
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methanone
CID 78842575
(5aS,9aS)-4-(4-chlorobenzoyl)-5a,6,7,8,9,9a-hexahydro-5H-pyrido[1,2-a]benzimidazol-1-one
CID 59995806
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
1,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 82392237
(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
CID 70464224
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
CID 10850177
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
2-[4-[5-[4-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one (CID 10266940) is 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one is CN1CCCn2c1c(C(=O)c1ccc(Cl)cc1)ccc2=O.
What is the InChIKey of 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
The InChIKey is ADUSJLCLBRJYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-18-9-2-10-19-14(20)8-7-13(16(18)19)15(21)11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3.
What are the key properties of 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one has a molecular weight of 302.76 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 10266940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).