5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium

C31H34N+ — CID 170405612

IUPAC5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium
SMILESCc1cc2ccccc2cc1-c1ccc2c(C3CCCC3)cc(C3CCCC3)cc2[n+]1C
InChIInChI=1S/C31H34N/c1-21-17-24-13-7-8-14-25(24)18-28(21)30-16-15-27-29(23-11-5-6-12-23)19-26(20-31(27)32(30)2)22-9-3-4-10-22/h7-8,13-20,22-23H,3-6,9-12H2,1-2H3/q+1
InChIKeyJKPYQYSNHZOEED-UHFFFAOYSA-N
MW420.62 g/mol
LogP8.11
Rot. Bonds3

About 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium

5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium (PubChem CID 170405612) has the molecular formula C31H34N+ and a molecular weight of 420.62 g/mol. Its IUPAC name is 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium.

Molecular Properties

Compound Name5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium
PubChem CID170405612
Molecular FormulaC31H34N+
Molecular Weight420.62 g/mol
Exact Mass420.27
IUPAC Name5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium
SMILESCc1cc2ccccc2cc1-c1ccc2c(C3CCCC3)cc(C3CCCC3)cc2[n+]1C
InChIInChI=1S/C31H34N/c1-21-17-24-13-7-8-14-25(24)18-28(21)30-16-15-27-29(23-11-5-6-12-23)19-26(20-31(27)32(30)2)22-9-3-4-10-22/h7-8,13-20,22-23H,3-6,9-12H2,1-2H3/q+1
InChIKeyJKPYQYSNHZOEED-UHFFFAOYSA-N
XLogP8.11
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
CID 140920909
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466956
1-methyl-2-(3-methylanthracen-2-yl)quinolin-1-ium
CID 59372149
5-cyclopentyl-1-methyl-2-(4-methylphenanthren-3-yl)quinolin-1-ium
CID 170405655
5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
1-cyclopentyl-3-methylnaphthalene
CID 153311987
4-cyclopentyl-2-methylisoquinolin-2-ium;ethane
CID 155692739
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
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802297
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761

Frequently Asked Questions

What is the IUPAC name of 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium?
The IUPAC name of 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium (CID 170405612) is 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium.
What is the SMILES notation for 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium?
The canonical SMILES for 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium is Cc1cc2ccccc2cc1-c1ccc2c(C3CCCC3)cc(C3CCCC3)cc2[n+]1C.
What is the InChIKey of 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium?
The InChIKey is JKPYQYSNHZOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N/c1-21-17-24-13-7-8-14-25(24)18-28(21)30-16-15-27-29(23-11-5-6-12-23)19-26(20-31(27)32(30)2)22-9-3-4-10-22/h7-8,13-20,22-23H,3-6,9-12H2,1-2H3/q+1.
What are the key properties of 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium?
5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium has a molecular weight of 420.62 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium is sourced from PubChem (CID 170405612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).