2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline

C19H21N — CID 23433463

IUPAC2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C19H21N/c1-13-6-5-7-15(10-13)16-8-9-18-17(11-16)14(2)12-19(3,4)20-18/h5-12,20H,1-4H3
InChIKeyHSGCRQSRAKRGTQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.27
Rot. Bonds1

About 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline

2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline (PubChem CID 23433463) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline
PubChem CID23433463
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3cccc(C)c3)cc21
InChIInChI=1S/C19H21N/c1-13-6-5-7-15(10-13)16-8-9-18-17(11-16)14(2)12-19(3,4)20-18/h5-12,20H,1-4H3
InChIKeyHSGCRQSRAKRGTQ-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4-trimethyl-6-(3-methylphenyl)-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-trimethyl-6-(3-methylphenyl)-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline (CID 23433463) is 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline is CC1=CC(C)(C)Nc2ccc(-c3cccc(C)c3)cc21.
What is the InChIKey of 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline?
The InChIKey is HSGCRQSRAKRGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-13-6-5-7-15(10-13)16-8-9-18-17(11-16)14(2)12-19(3,4)20-18/h5-12,20H,1-4H3.
What are the key properties of 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline?
2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline has a molecular weight of 263.38 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-(3-methylphenyl)-1H-quinoline is sourced from PubChem (CID 23433463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).