4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one

C23H25N3O2 — CID 70763782

IUPAC4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C23H25N3O2/c1-16-4-5-18-13-19(14-26-11-10-25(2)22(27)15-26)23(24-21(18)12-16)17-6-8-20(28-3)9-7-17/h4-9,12-13H,10-11,14-15H2,1-3H3
InChIKeyDWVGKCHODGGUHY-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.49
Rot. Bonds4

About 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one

4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one (PubChem CID 70763782) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
PubChem CID70763782
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C23H25N3O2/c1-16-4-5-18-13-19(14-26-11-10-25(2)22(27)15-26)23(24-21(18)12-16)17-6-8-20(28-3)9-7-17/h4-9,12-13H,10-11,14-15H2,1-3H3
InChIKeyDWVGKCHODGGUHY-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-[[7-methoxy-2-(3-methylphenyl)quinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70738695
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888
1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
CID 45166310
2-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-7-methylquinoline
CID 70721722
(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95862955
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774
(3S)-1-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]piperidine-3-carbonitrile
CID 95871680
(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
CID 26358983
4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazine-1-carboxamide
CID 70747093
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one (CID 70763782) is 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one is COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)C(=O)C2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one?
The InChIKey is DWVGKCHODGGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-4-5-18-13-19(14-26-11-10-25(2)22(27)15-26)23(24-21(18)12-16)17-6-8-20(28-3)9-7-17/h4-9,12-13H,10-11,14-15H2,1-3H3.
What are the key properties of 4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one?
4-[[2-(4-methoxyphenyl)-7-methylquinolin-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-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 70763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).