6,8-dimethyl-2-phenylquinoline

C17H15N — CID 51361072

IUPAC6,8-dimethyl-2-phenylquinoline
SMILESCc1cc(C)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C17H15N/c1-12-10-13(2)17-15(11-12)8-9-16(18-17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyBVWXKDSVXIYSJC-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.52
Rot. Bonds1

About 6,8-dimethyl-2-phenylquinoline

6,8-dimethyl-2-phenylquinoline (PubChem CID 51361072) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 6,8-dimethyl-2-phenylquinoline.

Molecular Properties

Compound Name6,8-dimethyl-2-phenylquinoline
PubChem CID51361072
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name6,8-dimethyl-2-phenylquinoline
SMILESCc1cc(C)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C17H15N/c1-12-10-13(2)17-15(11-12)8-9-16(18-17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyBVWXKDSVXIYSJC-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-phenylquinoline?
The IUPAC name of 6,8-dimethyl-2-phenylquinoline (CID 51361072) is 6,8-dimethyl-2-phenylquinoline.
What is the SMILES notation for 6,8-dimethyl-2-phenylquinoline?
The canonical SMILES for 6,8-dimethyl-2-phenylquinoline is Cc1cc(C)c2nc(-c3ccccc3)ccc2c1.
What is the InChIKey of 6,8-dimethyl-2-phenylquinoline?
The InChIKey is BVWXKDSVXIYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-10-13(2)17-15(11-12)8-9-16(18-17)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 6,8-dimethyl-2-phenylquinoline?
6,8-dimethyl-2-phenylquinoline has a molecular weight of 233.31 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-phenylquinoline is sourced from PubChem (CID 51361072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).