2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium

C119H130N6+6 — CID 157049607

IUPAC2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
SMILESCc1cc(C)c(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccccc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1
InChIInChI=1S/C21H24N.3C20H22N.2C19H20N/c1-13-9-15(3)17(5)19(11-13)20-8-7-18-16(4)10-14(2)12-21(18)22(20)6;1-13-6-7-17-8-9-19(21(5)20(17)12-13)18-11-14(2)10-15(3)16(18)4;1-13-6-7-15(3)18(11-13)19-9-8-17-16(4)10-14(2)12-20(17)21(19)5;1-13-11-15(3)16(4)18(12-13)20-10-9-17-14(2)7-6-8-19(17)21(20)5;1-13-5-7-15(3)17(11-13)18-10-9-16-8-6-14(2)12-19(16)20(18)4;1-13-11-14(2)15(3)17(12-13)19-10-9-16-7-5-6-8-18(16)20(19)4/h7-12H,1-6H3;3*6-12H,1-5H3;2*5-12H,1-4H3/q6*+1
InChIKeyQGWLZQWDXVSNQO-UHFFFAOYSA-N
MW1644.39 g/mol
LogP27.08
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium

2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium (PubChem CID 157049607) has the molecular formula C119H130N6+6 and a molecular weight of 1644.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
PubChem CID157049607
Molecular FormulaC119H130N6+6
Molecular Weight1644.39 g/mol
Exact Mass1643.03
IUPAC Name2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
SMILESCc1cc(C)c(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccccc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1
InChIInChI=1S/C21H24N.3C20H22N.2C19H20N/c1-13-9-15(3)17(5)19(11-13)20-8-7-18-16(4)10-14(2)12-21(18)22(20)6;1-13-6-7-17-8-9-19(21(5)20(17)12-13)18-11-14(2)10-15(3)16(18)4;1-13-6-7-15(3)18(11-13)19-9-8-17-16(4)10-14(2)12-20(17)21(19)5;1-13-11-15(3)16(4)18(12-13)20-10-9-17-14(2)7-6-8-19(17)21(20)5;1-13-5-7-15(3)17(11-13)18-10-9-16-8-6-14(2)12-19(16)20(18)4;1-13-11-14(2)15(3)17(12-13)19-10-9-16-7-5-6-8-18(16)20(19)4/h7-12H,1-6H3;3*6-12H,1-5H3;2*5-12H,1-4H3/q6*+1
InChIKeyQGWLZQWDXVSNQO-UHFFFAOYSA-N
XLogP27.08
TPSA23.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001644.39
LogP ≤ 527.08
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 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium 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

2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 161299419
5-isocyano-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166054780
2-(2,4-dimethylphenyl)-1-methylquinolin-1-ium;3-[2,5-dimethyl-3-(trideuteriomethyl)phenyl]-2-methylisoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;2-methyl-3-[2-methyl-4-(trideuteriomethyl)phenyl]isoquinolin-2-ium
CID 160532784
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
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
2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5-[4-[4-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-7-yl]cyclohexyl]cyclohexyl]quinolin-1-ium
CID 170384578
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
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
6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501250
5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802339
4-methyl-3-(1-methylquinolin-1-ium-2-yl)benzonitrile
CID 176787698

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium (CID 157049607) is 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium is Cc1cc(C)c(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccccc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The InChIKey is QGWLZQWDXVSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N.3C20H22N.2C19H20N/c1-13-9-15(3)17(5)19(11-13)20-8-7-18-16(4)10-14(2)12-21(18)22(20)6;1-13-6-7-17-8-9-19(21(5)20(17)12-13)18-11-14(2)10-15(3)16(18)4;1-13-6-7-15(3)18(11-13)19-9-8-17-16(4)10-14(2)12-20(17)21(19)5;1-13-11-15(3)16(4)18(12-13)20-10-9-17-14(2)7-6-8-19(17)21(20)5;1-13-5-7-15(3)17(11-13)18-10-9-16-8-6-14(2)12-19(16)20(18)4;1-13-11-14(2)15(3)17(12-13)19-10-9-16-7-5-6-8-18(16)20(19)4/h7-12H,1-6H3;3*6-12H,1-5H3;2*5-12H,1-4H3/q6*+1.
What are the key properties of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium has a molecular weight of 1644.39 g/mol, XLogP of 27.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium is sourced from PubChem (CID 157049607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).