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

C11H11NO — CID 11644005

IUPAC1-(4H-quinolin-1-yl)ethanone
SMILESCC(=O)N1C=CCc2ccccc21
InChIInChI=1S/C11H11NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-5,7-8H,6H2,1H3
InChIKeyUHQOMKWFVHZMAW-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.11
Rot. Bonds

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

1-(4H-quinolin-1-yl)ethanone (PubChem CID 11644005) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(4H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4H-quinolin-1-yl)ethanone
PubChem CID11644005
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(4H-quinolin-1-yl)ethanone
SMILESCC(=O)N1C=CCc2ccccc21
InChIInChI=1S/C11H11NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-5,7-8H,6H2,1H3
InChIKeyUHQOMKWFVHZMAW-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(4H-quinolin-1-yl)ethanone (CID 11644005) is 1-(4H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(4H-quinolin-1-yl)ethanone is CC(=O)N1C=CCc2ccccc21.
What is the InChIKey of 1-(4H-quinolin-1-yl)ethanone?
The InChIKey is UHQOMKWFVHZMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(4H-quinolin-1-yl)ethanone?
1-(4H-quinolin-1-yl)ethanone has a molecular weight of 173.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-quinolin-1-yl)ethanone is sourced from PubChem (CID 11644005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).