5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium

C27H32N+ — CID 140920909

IUPAC5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
SMILESCc1ccc(C2CCCC2)cc1-c1ccc2c(C3CCCC3)cccc2[n+]1C
InChIInChI=1S/C27H32N/c1-19-14-15-22(20-8-3-4-9-20)18-25(19)27-17-16-24-23(21-10-5-6-11-21)12-7-13-26(24)28(27)2/h7,12-18,20-21H,3-6,8-11H2,1-2H3/q+1
InChIKeyHSRIUPKQRAVFGI-UHFFFAOYSA-N
MW370.56 g/mol
LogP6.95
Rot. Bonds3

About 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium

5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium (PubChem CID 140920909) has the molecular formula C27H32N+ and a molecular weight of 370.56 g/mol. Its IUPAC name is 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium.

Molecular Properties

Compound Name5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
PubChem CID140920909
Molecular FormulaC27H32N+
Molecular Weight370.56 g/mol
Exact Mass370.25
IUPAC Name5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
SMILESCc1ccc(C2CCCC2)cc1-c1ccc2c(C3CCCC3)cccc2[n+]1C
InChIInChI=1S/C27H32N/c1-19-14-15-22(20-8-3-4-9-20)18-25(19)27-17-16-24-23(21-10-5-6-11-21)12-7-13-26(24)28(27)2/h7,12-18,20-21H,3-6,8-11H2,1-2H3/q+1
InChIKeyHSRIUPKQRAVFGI-UHFFFAOYSA-N
XLogP6.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
4,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404970
4,7-dicyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404971
5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium
CID 170405612
5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 159924826
5-cyclopentyl-1-methyl-2-(4-methylphenanthren-3-yl)quinolin-1-ium
CID 170405655
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466956
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
5-cyclohexyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-6-fluoro-1-methylquinolin-1-ium;5-cyclopentyl-6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;7-cyclopentyl-6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 159814495
2-(5-cyclopentyl-2-methylphenyl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium
CID 140920841
2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 167365538
5-cyclopentyl-2-(2,5-dimethylphenyl)-6-fluoro-1-methylquinolin-1-ium
CID 123844364

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium?
The IUPAC name of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium (CID 140920909) is 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium.
What is the SMILES notation for 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium?
The canonical SMILES for 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium is Cc1ccc(C2CCCC2)cc1-c1ccc2c(C3CCCC3)cccc2[n+]1C.
What is the InChIKey of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium?
The InChIKey is HSRIUPKQRAVFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N/c1-19-14-15-22(20-8-3-4-9-20)18-25(19)27-17-16-24-23(21-10-5-6-11-21)12-7-13-26(24)28(27)2/h7,12-18,20-21H,3-6,8-11H2,1-2H3/q+1.
What are the key properties of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium?
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium has a molecular weight of 370.56 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium is sourced from PubChem (CID 140920909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).