2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline

C22H25N — CID 118368950

IUPAC2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline
SMILESCC(C)c1ccc(-c2ccc3nc(C(C)(C)C)ccc3c2)cc1
InChIInChI=1S/C22H25N/c1-15(2)16-6-8-17(9-7-16)18-10-12-20-19(14-18)11-13-21(23-20)22(3,4)5/h6-15H,1-5H3
InChIKeyWLXJKSWBMJLAQC-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.32
Rot. Bonds2

About 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline

2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline (PubChem CID 118368950) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline.

Molecular Properties

Compound Name2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline
PubChem CID118368950
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline
SMILESCC(C)c1ccc(-c2ccc3nc(C(C)(C)C)ccc3c2)cc1
InChIInChI=1S/C22H25N/c1-15(2)16-6-8-17(9-7-16)18-10-12-20-19(14-18)11-13-21(23-20)22(3,4)5/h6-15H,1-5H3
InChIKeyWLXJKSWBMJLAQC-UHFFFAOYSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-6-(4-propan-2-ylphenyl)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-tert-butyl-6-(4-propan-2-ylphenyl)quinoline?
The IUPAC name of 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline (CID 118368950) is 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline.
What is the SMILES notation for 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline?
The canonical SMILES for 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline is CC(C)c1ccc(-c2ccc3nc(C(C)(C)C)ccc3c2)cc1.
What is the InChIKey of 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline?
The InChIKey is WLXJKSWBMJLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-15(2)16-6-8-17(9-7-16)18-10-12-20-19(14-18)11-13-21(23-20)22(3,4)5/h6-15H,1-5H3.
What are the key properties of 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline?
2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline has a molecular weight of 303.45 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline is sourced from PubChem (CID 118368950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).