3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline

C20H21N — CID 58871253

IUPAC3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
SMILESCc1ccc2nc(-c3cc(C)c(C)c(C)c3)c(C)cc2c1
InChIInChI=1S/C20H21N/c1-12-6-7-19-17(8-12)11-15(4)20(21-19)18-9-13(2)16(5)14(3)10-18/h6-11H,1-5H3
InChIKeyGUQSWIFRGNYOKZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.44
Rot. Bonds1

About 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline

3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline (PubChem CID 58871253) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline.

Molecular Properties

Compound Name3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
PubChem CID58871253
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
SMILESCc1ccc2nc(-c3cc(C)c(C)c(C)c3)c(C)cc2c1
InChIInChI=1S/C20H21N/c1-12-6-7-19-17(8-12)11-15(4)20(21-19)18-9-13(2)16(5)14(3)10-18/h6-11H,1-5H3
InChIKeyGUQSWIFRGNYOKZ-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethylacridine
CID 14490101
N,3,6-trimethylquinolin-2-amine
CID 63231556
2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
CID 58871250
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
3-methoxy-2-(3-methoxy-5-methylphenyl)-6-methylquinoline
CID 58871300
6-fluoro-3-methyl-2-(3-methylphenyl)quinoline
CID 59288886
6-methoxy-2-(3-methoxy-5-methylphenyl)-3-methylquinoline
CID 58871272
2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
CID 59348536
3,5,7-trimethyl-2-(2,4,5-trimethylphenyl)quinoline;3,5,7-trimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 161333393
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
iridium;3-methyl-2-phenylquinoline
CID 174474394

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline?
The IUPAC name of 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline (CID 58871253) is 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline.
What is the SMILES notation for 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline?
The canonical SMILES for 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline is Cc1ccc2nc(-c3cc(C)c(C)c(C)c3)c(C)cc2c1.
What is the InChIKey of 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline?
The InChIKey is GUQSWIFRGNYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-12-6-7-19-17(8-12)11-15(4)20(21-19)18-9-13(2)16(5)14(3)10-18/h6-11H,1-5H3.
What are the key properties of 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline?
3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline has a molecular weight of 275.39 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline is sourced from PubChem (CID 58871253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).