2-(2,4,6-trimethylphenyl)quinoline

C18H17N — CID 4193971

IUPAC2-(2,4,6-trimethylphenyl)quinoline
SMILESCc1cc(C)c(-c2ccc3ccccc3n2)c(C)c1
InChIInChI=1S/C18H17N/c1-12-10-13(2)18(14(3)11-12)17-9-8-15-6-4-5-7-16(15)19-17/h4-11H,1-3H3
InChIKeyXYWMCTLTWRSGFQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.83
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)quinoline

2-(2,4,6-trimethylphenyl)quinoline (PubChem CID 4193971) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)quinoline.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)quinoline
PubChem CID4193971
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-(2,4,6-trimethylphenyl)quinoline
SMILESCc1cc(C)c(-c2ccc3ccccc3n2)c(C)c1
InChIInChI=1S/C18H17N/c1-12-10-13(2)18(14(3)11-12)17-9-8-15-6-4-5-7-16(15)19-17/h4-11H,1-3H3
InChIKeyXYWMCTLTWRSGFQ-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)quinoline?
The IUPAC name of 2-(2,4,6-trimethylphenyl)quinoline (CID 4193971) is 2-(2,4,6-trimethylphenyl)quinoline.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)quinoline?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)quinoline is Cc1cc(C)c(-c2ccc3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)quinoline?
The InChIKey is XYWMCTLTWRSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-10-13(2)18(14(3)11-12)17-9-8-15-6-4-5-7-16(15)19-17/h4-11H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)quinoline?
2-(2,4,6-trimethylphenyl)quinoline has a molecular weight of 247.34 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)quinoline is sourced from PubChem (CID 4193971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).