2-(4-methylphenyl)-1-quinolin-6-ylethanone

C18H15NO — CID 63096314

IUPAC2-(4-methylphenyl)-1-quinolin-6-ylethanone
SMILESCc1ccc(CC(=O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H15NO/c1-13-4-6-14(7-5-13)11-18(20)16-8-9-17-15(12-16)3-2-10-19-17/h2-10,12H,11H2,1H3
InChIKeyJVSSJGIMMONHHE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-methylphenyl)-1-quinolin-6-ylethanone

2-(4-methylphenyl)-1-quinolin-6-ylethanone (PubChem CID 63096314) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-quinolin-6-ylethanone
PubChem CID63096314
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-(4-methylphenyl)-1-quinolin-6-ylethanone
SMILESCc1ccc(CC(=O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H15NO/c1-13-4-6-14(7-5-13)11-18(20)16-8-9-17-15(12-16)3-2-10-19-17/h2-10,12H,11H2,1H3
InChIKeyJVSSJGIMMONHHE-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-quinolin-6-ylethanone?
The IUPAC name of 2-(4-methylphenyl)-1-quinolin-6-ylethanone (CID 63096314) is 2-(4-methylphenyl)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-quinolin-6-ylethanone is Cc1ccc(CC(=O)c2ccc3ncccc3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-quinolin-6-ylethanone?
The InChIKey is JVSSJGIMMONHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-4-6-14(7-5-13)11-18(20)16-8-9-17-15(12-16)3-2-10-19-17/h2-10,12H,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-quinolin-6-ylethanone?
2-(4-methylphenyl)-1-quinolin-6-ylethanone has a molecular weight of 261.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-quinolin-6-ylethanone is sourced from PubChem (CID 63096314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).