1-(4-ethyl-2H-quinolin-1-yl)ethanone

C13H15NO — CID 126493212

IUPAC1-(4-ethyl-2H-quinolin-1-yl)ethanone
SMILESCCC1=CCN(C(C)=O)c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-11-8-9-14(10(2)15)13-7-5-4-6-12(11)13/h4-8H,3,9H2,1-2H3
InChIKeySMQBOVBPYXJJQV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.85
Rot. Bonds1

About 1-(4-ethyl-2H-quinolin-1-yl)ethanone

1-(4-ethyl-2H-quinolin-1-yl)ethanone (PubChem CID 126493212) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-ethyl-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-2H-quinolin-1-yl)ethanone
PubChem CID126493212
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(4-ethyl-2H-quinolin-1-yl)ethanone
SMILESCCC1=CCN(C(C)=O)c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-11-8-9-14(10(2)15)13-7-5-4-6-12(11)13/h4-8H,3,9H2,1-2H3
InChIKeySMQBOVBPYXJJQV-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(4-ethyl-2H-quinolin-1-yl)ethanone (CID 126493212) is 1-(4-ethyl-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-2H-quinolin-1-yl)ethanone is CCC1=CCN(C(C)=O)c2ccccc21.
What is the InChIKey of 1-(4-ethyl-2H-quinolin-1-yl)ethanone?
The InChIKey is SMQBOVBPYXJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-11-8-9-14(10(2)15)13-7-5-4-6-12(11)13/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(4-ethyl-2H-quinolin-1-yl)ethanone?
1-(4-ethyl-2H-quinolin-1-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 126493212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).