8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline

C22H25N3O — CID 18414092

IUPAC8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
SMILESCOc1cc(N2CCN(Cc3ccccc3)CC2)c2nccc(C)c2c1
InChIInChI=1S/C22H25N3O/c1-17-8-9-23-22-20(17)14-19(26-2)15-21(22)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyWVBNRQRTTAXLJT-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.87
Rot. Bonds4

About 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline

8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline (PubChem CID 18414092) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline.

Molecular Properties

Compound Name8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
PubChem CID18414092
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline
SMILESCOc1cc(N2CCN(Cc3ccccc3)CC2)c2nccc(C)c2c1
InChIInChI=1S/C22H25N3O/c1-17-8-9-23-22-20(17)14-19(26-2)15-21(22)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyWVBNRQRTTAXLJT-UHFFFAOYSA-N
XLogP3.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridinyl)methyl]isoindole
CID 67046224
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333

Frequently Asked Questions

What is the IUPAC name of 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline?
The IUPAC name of 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline (CID 18414092) is 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline.
What is the SMILES notation for 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline?
The canonical SMILES for 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline is COc1cc(N2CCN(Cc3ccccc3)CC2)c2nccc(C)c2c1.
What is the InChIKey of 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline?
The InChIKey is WVBNRQRTTAXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-8-9-23-22-20(17)14-19(26-2)15-21(22)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline?
8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline has a molecular weight of 347.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-benzylpiperazin-1-yl)-6-methoxy-4-methylquinoline is sourced from PubChem (CID 18414092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).