2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H20ClN3O — CID 47057204

IUPAC2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCCC3c3ccccc3Cl)cc(=O)n2c1
InChIInChI=1S/C20H20ClN3O/c1-14-8-9-19-22-15(11-20(25)24(19)12-14)13-23-10-4-7-18(23)16-5-2-3-6-17(16)21/h2-3,5-6,8-9,11-12,18H,4,7,10,13H2,1H3
InChIKeyLPWSPEIMXCYFOW-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.99
Rot. Bonds3

About 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 47057204) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID47057204
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCCC3c3ccccc3Cl)cc(=O)n2c1
InChIInChI=1S/C20H20ClN3O/c1-14-8-9-19-22-15(11-20(25)24(19)12-14)13-23-10-4-7-18(23)16-5-2-3-6-17(16)21/h2-3,5-6,8-9,11-12,18H,4,7,10,13H2,1H3
InChIKeyLPWSPEIMXCYFOW-UHFFFAOYSA-N
XLogP3.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17421351
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441956
2-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119927110
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120753391
7-methyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95354290
7-chloro-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46614668
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46801667
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46559558

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 47057204) is 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCCC3c3ccccc3Cl)cc(=O)n2c1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LPWSPEIMXCYFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-8-9-19-22-15(11-20(25)24(19)12-14)13-23-10-4-7-18(23)16-5-2-3-6-17(16)21/h2-3,5-6,8-9,11-12,18H,4,7,10,13H2,1H3.
What are the key properties of 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 353.85 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47057204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).