6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium

C19H20N+ — CID 170527695

IUPAC6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
SMILESCCc1ccc2c[n+](C)c(-c3ccccc3C)cc2c1
InChIInChI=1S/C19H20N/c1-4-15-9-10-16-13-20(3)19(12-17(16)11-15)18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3/q+1
InChIKeyVDNPLZHWYCXGNL-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.20
Rot. Bonds2

About 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium

6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium (PubChem CID 170527695) has the molecular formula C19H20N+ and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
PubChem CID170527695
Molecular FormulaC19H20N+
Molecular Weight262.38 g/mol
Exact Mass262.16
IUPAC Name6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
SMILESCCc1ccc2c[n+](C)c(-c3ccccc3C)cc2c1
InChIInChI=1S/C19H20N/c1-4-15-9-10-16-13-20(3)19(12-17(16)11-15)18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3/q+1
InChIKeyVDNPLZHWYCXGNL-UHFFFAOYSA-N
XLogP4.20
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-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

7-ethyl-3-(4-ethyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 170405523
3-(5-ethyl-2-methylphenyl)-2-methyl-7-propan-2-ylisoquinolin-2-ium
CID 170405508
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
5-ethyl-1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium
CID 164823798
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414
3-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium
CID 176592433
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
14-methyl-13-(2-methylphenyl)-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140871315
benzyl 1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium-4-carboxylate
CID 170335598
2-(4-ethyl-2-methylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 123587702
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
2-(4-ethyl-2-methylphenyl)-1-methyl-4-phenylpyridin-1-ium
CID 123231632

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium?
The IUPAC name of 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium (CID 170527695) is 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium.
What is the SMILES notation for 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium?
The canonical SMILES for 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium is CCc1ccc2c[n+](C)c(-c3ccccc3C)cc2c1.
What is the InChIKey of 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium?
The InChIKey is VDNPLZHWYCXGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N/c1-4-15-9-10-16-13-20(3)19(12-17(16)11-15)18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3/q+1.
What are the key properties of 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium?
6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium has a molecular weight of 262.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium is sourced from PubChem (CID 170527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).