2-(3,4-dimethylphenyl)-3,7-dimethylquinoline

C19H19N — CID 58871250

IUPAC2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
SMILESCc1ccc2cc(C)c(-c3ccc(C)c(C)c3)nc2c1
InChIInChI=1S/C19H19N/c1-12-5-7-16-11-15(4)19(20-18(16)9-12)17-8-6-13(2)14(3)10-17/h5-11H,1-4H3
InChIKeyXFVUDHZOFAAUQZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.14
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline

2-(3,4-dimethylphenyl)-3,7-dimethylquinoline (PubChem CID 58871250) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
PubChem CID58871250
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
SMILESCc1ccc2cc(C)c(-c3ccc(C)c(C)c3)nc2c1
InChIInChI=1S/C19H19N/c1-12-5-7-16-11-15(4)19(20-18(16)9-12)17-8-6-13(2)14(3)10-17/h5-11H,1-4H3
InChIKeyXFVUDHZOFAAUQZ-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-(3,4-dimethylphenyl)-3,7-dimethylquinoline?
The IUPAC name of 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline (CID 58871250) is 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline is Cc1ccc2cc(C)c(-c3ccc(C)c(C)c3)nc2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline?
The InChIKey is XFVUDHZOFAAUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-12-5-7-16-11-15(4)19(20-18(16)9-12)17-8-6-13(2)14(3)10-17/h5-11H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3,7-dimethylquinoline?
2-(3,4-dimethylphenyl)-3,7-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-(3,4-dimethylphenyl)-3,7-dimethylquinoline is sourced from PubChem (CID 58871250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).