7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H21ClN4O2 — CID 46827842

IUPAC7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H21ClN4O2/c1-27-18-5-3-2-4-17(18)24-10-8-23(9-11-24)14-16-12-20(26)25-13-15(21)6-7-19(25)22-16/h2-7,12-13H,8-11,14H2,1H3
InChIKeyBDAQZFWMXVKGEA-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.68
Rot. Bonds4

About 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46827842) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID46827842
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H21ClN4O2/c1-27-18-5-3-2-4-17(18)24-10-8-23(9-11-24)14-16-12-20(26)25-13-15(21)6-7-19(25)22-16/h2-7,12-13H,8-11,14H2,1H3
InChIKeyBDAQZFWMXVKGEA-UHFFFAOYSA-N
XLogP2.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46559558
2-[(4-chlorophenyl)methylamino]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 146052240
7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18087338
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20939048
7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46614668
tert-butyl N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512447
7-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 86774691
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18203381
5-[(4-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803006

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 46827842) is 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccccc1N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BDAQZFWMXVKGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-27-18-5-3-2-4-17(18)24-10-8-23(9-11-24)14-16-12-20(26)25-13-15(21)6-7-19(25)22-16/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 384.87 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46827842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).