quinolin-4-one

C9H5NO — CID 57038146

IUPACquinolin-4-one
SMILESO=C1C=C=Nc2ccccc21
InChIInChI=1S/C9H5NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-5H
InChIKeyGPPZVGNHXBJPRM-UHFFFAOYSA-N
MW143.14 g/mol
LogP1.74
Rot. Bonds

About quinolin-4-one

quinolin-4-one (PubChem CID 57038146) has the molecular formula C9H5NO and a molecular weight of 143.14 g/mol. Its IUPAC name is quinolin-4-one.

Molecular Properties

Compound Namequinolin-4-one
PubChem CID57038146
Molecular FormulaC9H5NO
Molecular Weight143.14 g/mol
Exact Mass143.04
IUPAC Namequinolin-4-one
SMILESO=C1C=C=Nc2ccccc21
InChIInChI=1S/C9H5NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-5H
InChIKeyGPPZVGNHXBJPRM-UHFFFAOYSA-N
XLogP1.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-Aminoacetophenone
CID 11086
4-Hydroxyquinoline
CID 69141
2'-Nitroacetophenone
CID 11346
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Methylquinolin-4-ol
CID 69089
1-Methyl-4-quinolone
CID 6748
2-Phenyl-4-oxohydroquinoline
CID 161091
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Aminobenzophenone
CID 76080
2-(Trifluoromethyl)quinolin-4-ol
CID 314576
2,3-Dimethylquinolin-4-OL
CID 237396
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590

Frequently Asked Questions

What is the IUPAC name of quinolin-4-one?
The IUPAC name of quinolin-4-one (CID 57038146) is quinolin-4-one.
What is the SMILES notation for quinolin-4-one?
The canonical SMILES for quinolin-4-one is O=C1C=C=Nc2ccccc21.
What is the InChIKey of quinolin-4-one?
The InChIKey is GPPZVGNHXBJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-5H.
What are the key properties of quinolin-4-one?
quinolin-4-one has a molecular weight of 143.14 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-one is sourced from PubChem (CID 57038146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).