2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

C18H19NO — CID 79745952

IUPAC2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESCc1cccc(CC(=O)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H19NO/c1-13-5-2-6-14(11-13)12-17(20)16-9-3-7-15-8-4-10-19-18(15)16/h2,4-6,8,10-11,16H,3,7,9,12H2,1H3
InChIKeyYNDKWPPQGVPLFY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (PubChem CID 79745952) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
PubChem CID79745952
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESCc1cccc(CC(=O)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H19NO/c1-13-5-2-6-14(11-13)12-17(20)16-9-3-7-15-8-4-10-19-18(15)16/h2,4-6,8,10-11,16H,3,7,9,12H2,1H3
InChIKeyYNDKWPPQGVPLFY-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (CID 79745952) is 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is Cc1cccc(CC(=O)C2CCCc3cccnc32)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The InChIKey is YNDKWPPQGVPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-5-2-6-14(11-13)12-17(20)16-9-3-7-15-8-4-10-19-18(15)16/h2,4-6,8,10-11,16H,3,7,9,12H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is sourced from PubChem (CID 79745952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).