2,2-dimethyl-3H-quinoline

C11H13N — CID 146757978

IUPAC2,2-dimethyl-3H-quinoline
SMILESCC1(C)CC=c2ccccc2=N1
InChIInChI=1S/C11H13N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-7H,8H2,1-2H3
InChIKeyROTJWYNBTRNLES-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.27
Rot. Bonds

About 2,2-dimethyl-3H-quinoline

2,2-dimethyl-3H-quinoline (PubChem CID 146757978) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,2-dimethyl-3H-quinoline.

Molecular Properties

Compound Name2,2-dimethyl-3H-quinoline
PubChem CID146757978
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,2-dimethyl-3H-quinoline
SMILESCC1(C)CC=c2ccccc2=N1
InChIInChI=1S/C11H13N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-7H,8H2,1-2H3
InChIKeyROTJWYNBTRNLES-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-3H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-quinoline?
The IUPAC name of 2,2-dimethyl-3H-quinoline (CID 146757978) is 2,2-dimethyl-3H-quinoline.
What is the SMILES notation for 2,2-dimethyl-3H-quinoline?
The canonical SMILES for 2,2-dimethyl-3H-quinoline is CC1(C)CC=c2ccccc2=N1.
What is the InChIKey of 2,2-dimethyl-3H-quinoline?
The InChIKey is ROTJWYNBTRNLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-7H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-quinoline?
2,2-dimethyl-3H-quinoline has a molecular weight of 159.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-quinoline is sourced from PubChem (CID 146757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).