4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium

C121H148N5+5 — CID 158470585

IUPAC4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
SMILESCc1cc(C)c(C)c(-c2cc(CC(C)(C)C)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(CC(C)C)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(CC3CCCC3)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC(C)(C)C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC4CCCC4)cccc3[n+]2C)c1
InChIInChI=1S/2C25H30N.2C24H30N.C23H28N/c1-17-13-18(2)19(3)23(14-17)25-16-21(15-20-9-5-6-10-20)22-11-7-8-12-24(22)26(25)4;1-17-14-18(2)19(3)23(15-17)25-13-12-22-21(16-20-8-5-6-9-20)10-7-11-24(22)26(25)4;1-16-13-17(2)18(3)21(14-16)23-12-11-20-19(15-24(4,5)6)9-8-10-22(20)25(23)7;1-16-12-17(2)18(3)21(13-16)23-14-19(15-24(4,5)6)20-10-8-9-11-22(20)25(23)7;1-15(2)11-19-14-23(21-13-16(3)12-17(4)18(21)5)24(6)22-10-8-7-9-20(19)22/h7-8,11-14,16,20H,5-6,9-10,15H2,1-4H3;7,10-15,20H,5-6,8-9,16H2,1-4H3;2*8-14H,15H2,1-7H3;7-10,12-15H,11H2,1-6H3/q5*+1
InChIKeyPYAMBEGUFHVTCD-UHFFFAOYSA-N
MW1672.55 g/mol
LogP29.12
Rot. Bonds13

About 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium

4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium (PubChem CID 158470585) has the molecular formula C121H148N5+5 and a molecular weight of 1672.55 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
PubChem CID158470585
Molecular FormulaC121H148N5+5
Molecular Weight1672.55 g/mol
Exact Mass1671.17
IUPAC Name4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
SMILESCc1cc(C)c(C)c(-c2cc(CC(C)(C)C)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(CC(C)C)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(CC3CCCC3)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC(C)(C)C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC4CCCC4)cccc3[n+]2C)c1
InChIInChI=1S/2C25H30N.2C24H30N.C23H28N/c1-17-13-18(2)19(3)23(14-17)25-16-21(15-20-9-5-6-10-20)22-11-7-8-12-24(22)26(25)4;1-17-14-18(2)19(3)23(15-17)25-13-12-22-21(16-20-8-5-6-9-20)10-7-11-24(22)26(25)4;1-16-13-17(2)18(3)21(14-16)23-12-11-20-19(15-24(4,5)6)9-8-10-22(20)25(23)7;1-16-12-17(2)18(3)21(13-16)23-14-19(15-24(4,5)6)20-10-8-9-11-22(20)25(23)7;1-15(2)11-19-14-23(21-13-16(3)12-17(4)18(21)5)24(6)22-10-8-7-9-20(19)22/h7-8,11-14,16,20H,5-6,9-10,15H2,1-4H3;7,10-15,20H,5-6,8-9,16H2,1-4H3;2*8-14H,15H2,1-7H3;7-10,12-15H,11H2,1-6H3/q5*+1
InChIKeyPYAMBEGUFHVTCD-UHFFFAOYSA-N
XLogP29.12
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001672.55
LogP ≤ 529.12
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'}

Analyze 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium with MolForge

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Related Compounds

5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802339
4-(cyclopentylmethyl)-1,6-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501241
2-(2,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-1-methylquinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2-methylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2-methylphenyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-1-ium
CID 161057723
5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
1-methyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;bis(1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium)
CID 159416802
4-(cyclopentylmethyl)-2-(2,3-dimethylnaphthalen-1-yl)-1-methylquinolin-1-ium
CID 169322189
2,7-dimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1-methyl-5-propylquinolin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;8-[4-(2,2-dimethylpropyl)-1-methylquinolin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(2,2-dimethylpropyl)-1-methylquinolin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 163552298
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-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 158135474
1-methyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinazolin-1-ium
CID 169055457
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802297
6-(5-cyclopentyl-2-pyridinyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-[5-(2,2-dimethylpropyl)-2-pyridinyl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-6-[5-(2-methylpropyl)-2-pyridinyl]-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 158373189

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The IUPAC name of 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium (CID 158470585) is 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium.
What is the SMILES notation for 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The canonical SMILES for 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium is Cc1cc(C)c(C)c(-c2cc(CC(C)(C)C)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(CC(C)C)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(CC3CCCC3)c3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC(C)(C)C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC4CCCC4)cccc3[n+]2C)c1.
What is the InChIKey of 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The InChIKey is PYAMBEGUFHVTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H30N.2C24H30N.C23H28N/c1-17-13-18(2)19(3)23(14-17)25-16-21(15-20-9-5-6-10-20)22-11-7-8-12-24(22)26(25)4;1-17-14-18(2)19(3)23(15-17)25-13-12-22-21(16-20-8-5-6-9-20)10-7-11-24(22)26(25)4;1-16-13-17(2)18(3)21(14-16)23-12-11-20-19(15-24(4,5)6)9-8-10-22(20)25(23)7;1-16-12-17(2)18(3)21(13-16)23-14-19(15-24(4,5)6)20-10-8-9-11-22(20)25(23)7;1-15(2)11-19-14-23(21-13-16(3)12-17(4)18(21)5)24(6)22-10-8-7-9-20(19)22/h7-8,11-14,16,20H,5-6,9-10,15H2,1-4H3;7,10-15,20H,5-6,8-9,16H2,1-4H3;2*8-14H,15H2,1-7H3;7-10,12-15H,11H2,1-6H3/q5*+1.
What are the key properties of 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium has a molecular weight of 1672.55 g/mol, XLogP of 29.12, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-(2,2-dimethylpropyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-4-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium is sourced from PubChem (CID 158470585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).