7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline

C22H25N3O — CID 110434228

IUPAC7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
SMILESCOc1ccc2c(N3CCN(c4cccc(C)c4)CC3)cc(C)nc2c1
InChIInChI=1S/C22H25N3O/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)22-14-17(2)23-21-15-19(26-3)7-8-20(21)22/h4-8,13-15H,9-12H2,1-3H3
InChIKeyOOOYYOVVSQZCMS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.19
Rot. Bonds3

About 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline

7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline (PubChem CID 110434228) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
PubChem CID110434228
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
SMILESCOc1ccc2c(N3CCN(c4cccc(C)c4)CC3)cc(C)nc2c1
InChIInChI=1S/C22H25N3O/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)22-14-17(2)23-21-15-19(26-3)7-8-20(21)22/h4-8,13-15H,9-12H2,1-3H3
InChIKeyOOOYYOVVSQZCMS-UHFFFAOYSA-N
XLogP4.19
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217
7-methoxy-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110434229
7-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435602
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
CID 22641435
1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
CID 10247707
2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113206568
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline?
The IUPAC name of 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline (CID 110434228) is 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline?
The canonical SMILES for 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline is COc1ccc2c(N3CCN(c4cccc(C)c4)CC3)cc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline?
The InChIKey is OOOYYOVVSQZCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)22-14-17(2)23-21-15-19(26-3)7-8-20(21)22/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline?
7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline has a molecular weight of 347.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 110434228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).