7,8-dimethylquinoline;ethane

C13H17N — CID 91494918

IUPAC7,8-dimethylquinoline;ethane
SMILESCC.Cc1ccc2cccnc2c1C
InChIInChI=1S/C11H11N.C2H6/c1-8-5-6-10-4-3-7-12-11(10)9(8)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyIVYOXYNWTZNTMY-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.88
Rot. Bonds

About 7,8-dimethylquinoline;ethane

7,8-dimethylquinoline;ethane (PubChem CID 91494918) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 7,8-dimethylquinoline;ethane.

Molecular Properties

Compound Name7,8-dimethylquinoline;ethane
PubChem CID91494918
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name7,8-dimethylquinoline;ethane
SMILESCC.Cc1ccc2cccnc2c1C
InChIInChI=1S/C11H11N.C2H6/c1-8-5-6-10-4-3-7-12-11(10)9(8)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyIVYOXYNWTZNTMY-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,8-dimethylquinoline;ethane 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-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
CID 90112553
7-methyl-8-propan-2-ylquinoline
CID 142451043
7-methyl-8-nitrosoquinoline
CID 88866337
7-tert-butyl-8-methylquinoline
CID 146326372
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
8-(chloromethyl)-7-methylquinoline
CID 165444274

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylquinoline;ethane?
The IUPAC name of 7,8-dimethylquinoline;ethane (CID 91494918) is 7,8-dimethylquinoline;ethane.
What is the SMILES notation for 7,8-dimethylquinoline;ethane?
The canonical SMILES for 7,8-dimethylquinoline;ethane is CC.Cc1ccc2cccnc2c1C.
What is the InChIKey of 7,8-dimethylquinoline;ethane?
The InChIKey is IVYOXYNWTZNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-8-5-6-10-4-3-7-12-11(10)9(8)2;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of 7,8-dimethylquinoline;ethane?
7,8-dimethylquinoline;ethane has a molecular weight of 187.29 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylquinoline;ethane is sourced from PubChem (CID 91494918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).