2-(3,5-dimethylphenyl)-4,5-dimethylquinoline

C19H19N — CID 59348519

IUPAC2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
SMILESCc1cc(C)cc(-c2cc(C)c3c(C)cccc3n2)c1
InChIInChI=1S/C19H19N/c1-12-8-13(2)10-16(9-12)18-11-15(4)19-14(3)6-5-7-17(19)20-18/h5-11H,1-4H3
InChIKeyOMPFBKQUDJNUCH-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.14
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline

2-(3,5-dimethylphenyl)-4,5-dimethylquinoline (PubChem CID 59348519) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
PubChem CID59348519
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
SMILESCc1cc(C)cc(-c2cc(C)c3c(C)cccc3n2)c1
InChIInChI=1S/C19H19N/c1-12-8-13(2)10-16(9-12)18-11-15(4)19-14(3)6-5-7-17(19)20-18/h5-11H,1-4H3
InChIKeyOMPFBKQUDJNUCH-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline (CID 59348519) is 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline is Cc1cc(C)cc(-c2cc(C)c3c(C)cccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline?
The InChIKey is OMPFBKQUDJNUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-12-8-13(2)10-16(9-12)18-11-15(4)19-14(3)6-5-7-17(19)20-18/h5-11H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline?
2-(3,5-dimethylphenyl)-4,5-dimethylquinoline has a molecular weight of 261.37 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4,5-dimethylquinoline is sourced from PubChem (CID 59348519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).