4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline

C22H25N3 — CID 43840526

IUPAC4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
SMILESCc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1C
InChIInChI=1S/C22H25N3/c1-17-8-9-20-21(10-11-23-22(20)18(17)2)25-14-12-24(13-15-25)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3
InChIKeyKUJXCCSLHCGNLU-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.17
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline

4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline (PubChem CID 43840526) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
PubChem CID43840526
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
SMILESCc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1C
InChIInChI=1S/C22H25N3/c1-17-8-9-20-21(10-11-23-22(20)18(17)2)25-14-12-24(13-15-25)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3
InChIKeyKUJXCCSLHCGNLU-UHFFFAOYSA-N
XLogP4.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
CID 18414092
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide
CID 91843158
4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole
CID 67046224

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline (CID 43840526) is 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline is Cc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1C.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline?
The InChIKey is KUJXCCSLHCGNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-8-9-20-21(10-11-23-22(20)18(17)2)25-14-12-24(13-15-25)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline?
4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline has a molecular weight of 331.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline is sourced from PubChem (CID 43840526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).