2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C24H23ClN2O2 — CID 18918922

IUPAC2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C24H23ClN2O2/c1-16-21(26-22-4-2-3-15-27(22)24(16)29)14-7-17-5-8-18(9-6-17)23(28)19-10-12-20(25)13-11-19/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKeyUVGQHGNEUSCUSM-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.56
Rot. Bonds5

About 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 18918922) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID18918922
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C24H23ClN2O2/c1-16-21(26-22-4-2-3-15-27(22)24(16)29)14-7-17-5-8-18(9-6-17)23(28)19-10-12-20(25)13-11-19/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKeyUVGQHGNEUSCUSM-UHFFFAOYSA-N
XLogP4.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 139716711
8-[[4-(4-chlorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 18919151
N-[1-(4-chlorophenyl)propyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 16603671
N-methyl-12-oxo-N-(thiophen-3-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9483197
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylate
CID 7915729
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 46273577
1-(4-bromophenyl)-2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]ethanone
CID 5230530
N-(2,5-dimethylphenyl)-N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 46273585
N-methyl-12-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 34470728
1-(4-chlorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propan-1-one
CID 42984359
N-[(4-methylphenyl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 9455432

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 18918922) is 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(CCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UVGQHGNEUSCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-16-21(26-22-4-2-3-15-27(22)24(16)29)14-7-17-5-8-18(9-6-17)23(28)19-10-12-20(25)13-11-19/h5-6,8-13H,2-4,7,14-15H2,1H3.
What are the key properties of 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 406.91 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18918922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).