2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H19ClN4O — CID 141363668

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCN(c4ccccc4Cl)CC3)nc12
InChIInChI=1S/C19H19ClN4O/c1-14-5-4-8-24-18(25)13-17(21-19(14)24)23-11-9-22(10-12-23)16-7-3-2-6-15(16)20/h2-8,13H,9-12H2,1H3
InChIKeyWZHGGYAATZGKQP-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.98
Rot. Bonds2

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 141363668) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID141363668
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCN(c4ccccc4Cl)CC3)nc12
InChIInChI=1S/C19H19ClN4O/c1-14-5-4-8-24-18(25)13-17(21-19(14)24)23-11-9-22(10-12-23)16-7-3-2-6-15(16)20/h2-8,13H,9-12H2,1H3
InChIKeyWZHGGYAATZGKQP-UHFFFAOYSA-N
XLogP2.98
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[1,2-a]pyrimidin-4-one
CID 166291945
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
2-[4-(2-chlorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 36723487
2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one
CID 10403020
3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
CID 155165313
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 43023454
2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356036
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 158026583
9-[(4-methylphenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 23586726
N-(4-methylphenyl)-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 122179714
2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one
CID 155709884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 141363668) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(N3CCN(c4ccccc4Cl)CC3)nc12.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WZHGGYAATZGKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-14-5-4-8-24-18(25)13-17(21-19(14)24)23-11-9-22(10-12-23)16-7-3-2-6-15(16)20/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 354.84 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141363668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).