4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one

C23H25N3O2 — CID 70738695

IUPAC4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccc2cc(CN3CCN(C)C(=O)C3)c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C23H25N3O2/c1-16-5-4-6-18(11-16)23-19(14-26-10-9-25(2)22(27)15-26)12-17-7-8-20(28-3)13-21(17)24-23/h4-8,11-13H,9-10,14-15H2,1-3H3
InChIKeyXFTGFPOWUAQRHG-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.49
Rot. Bonds4

About 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one

4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one (PubChem CID 70738695) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one
PubChem CID70738695
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccc2cc(CN3CCN(C)C(=O)C3)c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C23H25N3O2/c1-16-5-4-6-18(11-16)23-19(14-26-10-9-25(2)22(27)15-26)12-17-7-8-20(28-3)13-21(17)24-23/h4-8,11-13H,9-10,14-15H2,1-3H3
InChIKeyXFTGFPOWUAQRHG-UHFFFAOYSA-N
XLogP3.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
(3R)-3-methyl-4-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]piperazin-2-one
CID 95871055
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888
(1R,6S)-9-[[7-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133128743
(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95862955
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
2-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-7-methylquinoline
CID 70721722
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
[4-[(7-methoxy-2-thiophen-2-ylquinolin-3-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 70762977
1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
CID 25465196
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794

Frequently Asked Questions

What is the IUPAC name of 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one (CID 70738695) is 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one is COc1ccc2cc(CN3CCN(C)C(=O)C3)c(-c3cccc(C)c3)nc2c1.
What is the InChIKey of 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one?
The InChIKey is XFTGFPOWUAQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-5-4-6-18(11-16)23-19(14-26-10-9-25(2)22(27)15-26)12-17-7-8-20(28-3)13-21(17)24-23/h4-8,11-13H,9-10,14-15H2,1-3H3.
What are the key properties of 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one?
4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 70738695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).