4,8-dimethyl-3-phenylquinoline

C17H15N — CID 1239853

IUPAC4,8-dimethyl-3-phenylquinoline
SMILESCc1c(-c2ccccc2)cnc2c(C)cccc12
InChIInChI=1S/C17H15N/c1-12-7-6-10-15-13(2)16(11-18-17(12)15)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyWPGYTIYSPYXTQB-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.52
Rot. Bonds1

About 4,8-dimethyl-3-phenylquinoline

4,8-dimethyl-3-phenylquinoline (PubChem CID 1239853) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 4,8-dimethyl-3-phenylquinoline.

Molecular Properties

Compound Name4,8-dimethyl-3-phenylquinoline
PubChem CID1239853
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name4,8-dimethyl-3-phenylquinoline
SMILESCc1c(-c2ccccc2)cnc2c(C)cccc12
InChIInChI=1S/C17H15N/c1-12-7-6-10-15-13(2)16(11-18-17(12)15)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyWPGYTIYSPYXTQB-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 4,8-dimethyl-3-phenylquinoline?
The IUPAC name of 4,8-dimethyl-3-phenylquinoline (CID 1239853) is 4,8-dimethyl-3-phenylquinoline.
What is the SMILES notation for 4,8-dimethyl-3-phenylquinoline?
The canonical SMILES for 4,8-dimethyl-3-phenylquinoline is Cc1c(-c2ccccc2)cnc2c(C)cccc12.
What is the InChIKey of 4,8-dimethyl-3-phenylquinoline?
The InChIKey is WPGYTIYSPYXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-7-6-10-15-13(2)16(11-18-17(12)15)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 4,8-dimethyl-3-phenylquinoline?
4,8-dimethyl-3-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 4,8-dimethyl-3-phenylquinoline is sourced from PubChem (CID 1239853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).