2-methyl-3-(3-methylphenyl)quinoline

C17H15N — CID 126727979

IUPAC2-methyl-3-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2cc3ccccc3nc2C)c1
InChIInChI=1S/C17H15N/c1-12-6-5-8-14(10-12)16-11-15-7-3-4-9-17(15)18-13(16)2/h3-11H,1-2H3
InChIKeyFBHRERGKOZAEGH-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.52
Rot. Bonds1

About 2-methyl-3-(3-methylphenyl)quinoline

2-methyl-3-(3-methylphenyl)quinoline (PubChem CID 126727979) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name2-methyl-3-(3-methylphenyl)quinoline
PubChem CID126727979
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-methyl-3-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2cc3ccccc3nc2C)c1
InChIInChI=1S/C17H15N/c1-12-6-5-8-14(10-12)16-11-15-7-3-4-9-17(15)18-13(16)2/h3-11H,1-2H3
InChIKeyFBHRERGKOZAEGH-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 2-methyl-3-(3-methylphenyl)quinoline?
The IUPAC name of 2-methyl-3-(3-methylphenyl)quinoline (CID 126727979) is 2-methyl-3-(3-methylphenyl)quinoline.
What is the SMILES notation for 2-methyl-3-(3-methylphenyl)quinoline?
The canonical SMILES for 2-methyl-3-(3-methylphenyl)quinoline is Cc1cccc(-c2cc3ccccc3nc2C)c1.
What is the InChIKey of 2-methyl-3-(3-methylphenyl)quinoline?
The InChIKey is FBHRERGKOZAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-6-5-8-14(10-12)16-11-15-7-3-4-9-17(15)18-13(16)2/h3-11H,1-2H3.
What are the key properties of 2-methyl-3-(3-methylphenyl)quinoline?
2-methyl-3-(3-methylphenyl)quinoline 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 2-methyl-3-(3-methylphenyl)quinoline is sourced from PubChem (CID 126727979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).