2-(4-methylphenyl)quinoline

C16H13N — CID 613021

IUPAC2-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H13N/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3
InChIKeyWOVRXMQYJDFRON-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.21
Rot. Bonds1

About 2-(4-methylphenyl)quinoline

2-(4-methylphenyl)quinoline (PubChem CID 613021) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)quinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)quinoline
PubChem CID613021
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name2-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H13N/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3
InChIKeyWOVRXMQYJDFRON-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 2-(4-methylphenyl)quinoline?
The IUPAC name of 2-(4-methylphenyl)quinoline (CID 613021) is 2-(4-methylphenyl)quinoline.
What is the SMILES notation for 2-(4-methylphenyl)quinoline?
The canonical SMILES for 2-(4-methylphenyl)quinoline is Cc1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)quinoline?
The InChIKey is WOVRXMQYJDFRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3.
What are the key properties of 2-(4-methylphenyl)quinoline?
2-(4-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 2-(4-methylphenyl)quinoline is sourced from PubChem (CID 613021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).