8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline

C29H33N3OS — CID 163826186

IUPAC8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
SMILESCOc1cc(N2CCN(C3CCC(Cc4csc5ccccc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H33N3OS/c1-33-25-18-22-5-4-12-30-29(22)27(19-25)32-15-13-31(14-16-32)24-10-8-21(9-11-24)17-23-20-34-28-7-3-2-6-26(23)28/h2-7,12,18-21,24H,8-11,13-17H2,1H3
InChIKeyNZRVFGBQJOGSHU-UHFFFAOYSA-N
MW471.67 g/mol
LogP6.38
Rot. Bonds5

About 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline

8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline (PubChem CID 163826186) has the molecular formula C29H33N3OS and a molecular weight of 471.67 g/mol. Its IUPAC name is 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline.

Molecular Properties

Compound Name8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
PubChem CID163826186
Molecular FormulaC29H33N3OS
Molecular Weight471.67 g/mol
Exact Mass471.23
IUPAC Name8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
SMILESCOc1cc(N2CCN(C3CCC(Cc4csc5ccccc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C29H33N3OS/c1-33-25-18-22-5-4-12-30-29(22)27(19-25)32-15-13-31(14-16-32)24-10-8-21(9-11-24)17-23-20-34-28-7-3-2-6-26(23)28/h2-7,12,18-21,24H,8-11,13-17H2,1H3
InChIKeyNZRVFGBQJOGSHU-UHFFFAOYSA-N
XLogP6.38
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline with MolForge

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Related Compounds

6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333
ethane;8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 142006380
8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
CID 59827335
[8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinolin-6-yl] hydrogen sulfate
CID 25028617
bis(butanedioic acid);5-fluoro-4-methoxy-8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-2-(trifluoromethyl)quinoline
CID 86610297
8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-5-methoxy-2-methylphenyl]piperazin-1-yl]piperidin-1-yl]-5-fluoroquinoline
CID 143686547
2-fluoro-8-[4-[4-(5-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 141191461
8-[4-[1-(5-fluoroquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]-6-methoxy-1H-quinolin-4-one
CID 25029539
3,4,5-trihydroxy-6-[8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinolin-6-yl]oxyoxane-2-carboxylic acid
CID 59827340
CID 159696333
CID 159696333
2-(6-methoxyquinolin-8-yl)-1,2-benzoselenazole-3-thione
CID 88660659
1-(6-methoxyquinolin-8-yl)pyrrolidine-2,5-dione
CID 608395

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
The IUPAC name of 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline (CID 163826186) is 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline.
What is the SMILES notation for 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
The canonical SMILES for 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline is COc1cc(N2CCN(C3CCC(Cc4csc5ccccc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
The InChIKey is NZRVFGBQJOGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3OS/c1-33-25-18-22-5-4-12-30-29(22)27(19-25)32-15-13-31(14-16-32)24-10-8-21(9-11-24)17-23-20-34-28-7-3-2-6-26(23)28/h2-7,12,18-21,24H,8-11,13-17H2,1H3.
What are the key properties of 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline?
8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline has a molecular weight of 471.67 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(1-benzothiophen-3-ylmethyl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline is sourced from PubChem (CID 163826186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).