2,2,4,6,7-pentamethyl-1H-quinoline

C14H19N — CID 647805

IUPAC2,2,4,6,7-pentamethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C14H19N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-8,15H,1-5H3
InChIKeyRBJGTNCZCXCGPZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.91
Rot. Bonds

About 2,2,4,6,7-pentamethyl-1H-quinoline

2,2,4,6,7-pentamethyl-1H-quinoline (PubChem CID 647805) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-1H-quinoline.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-1H-quinoline
PubChem CID647805
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,2,4,6,7-pentamethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C14H19N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-8,15H,1-5H3
InChIKeyRBJGTNCZCXCGPZ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4,6,7-pentamethyl-1H-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 2,2,4,6,7-pentamethyl-1H-quinoline?
The IUPAC name of 2,2,4,6,7-pentamethyl-1H-quinoline (CID 647805) is 2,2,4,6,7-pentamethyl-1H-quinoline.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-1H-quinoline?
The canonical SMILES for 2,2,4,6,7-pentamethyl-1H-quinoline is CC1=CC(C)(C)Nc2cc(C)c(C)cc21.
What is the InChIKey of 2,2,4,6,7-pentamethyl-1H-quinoline?
The InChIKey is RBJGTNCZCXCGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-8,15H,1-5H3.
What are the key properties of 2,2,4,6,7-pentamethyl-1H-quinoline?
2,2,4,6,7-pentamethyl-1H-quinoline has a molecular weight of 201.31 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-1H-quinoline is sourced from PubChem (CID 647805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).