6-(3-methylphenyl)quinoline

C16H13N — CID 4185278

IUPAC6-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H13N/c1-12-4-2-5-13(10-12)14-7-8-16-15(11-14)6-3-9-17-16/h2-11H,1H3
InChIKeyMCPPOQZFTOUOIH-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.21
Rot. Bonds1

About 6-(3-methylphenyl)quinoline

6-(3-methylphenyl)quinoline (PubChem CID 4185278) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name6-(3-methylphenyl)quinoline
PubChem CID4185278
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name6-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H13N/c1-12-4-2-5-13(10-12)14-7-8-16-15(11-14)6-3-9-17-16/h2-11H,1H3
InChIKeyMCPPOQZFTOUOIH-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)quinoline?
The IUPAC name of 6-(3-methylphenyl)quinoline (CID 4185278) is 6-(3-methylphenyl)quinoline.
What is the SMILES notation for 6-(3-methylphenyl)quinoline?
The canonical SMILES for 6-(3-methylphenyl)quinoline is Cc1cccc(-c2ccc3ncccc3c2)c1.
What is the InChIKey of 6-(3-methylphenyl)quinoline?
The InChIKey is MCPPOQZFTOUOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-12-4-2-5-13(10-12)14-7-8-16-15(11-14)6-3-9-17-16/h2-11H,1H3.
What are the key properties of 6-(3-methylphenyl)quinoline?
6-(3-methylphenyl)quinoline has a molecular weight of 219.29 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)quinoline is sourced from PubChem (CID 4185278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).