quinolin-4-one

C9H5NO — CID 132576000

IUPACquinolin-4-one
SMILESO=C1C=CN=C2C=CC=C=C12
InChIInChI=1S/C9H5NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-2,4-6H
InChIKeyBSMHQDMYFUKCSO-UHFFFAOYSA-N
MW143.14 g/mol
LogP1.18
Rot. Bonds

About quinolin-4-one

quinolin-4-one (PubChem CID 132576000) 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 CID132576000
Molecular FormulaC9H5NO
Molecular Weight143.14 g/mol
Exact Mass143.04
IUPAC Namequinolin-4-one
SMILESO=C1C=CN=C2C=CC=C=C12
InChIInChI=1S/C9H5NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-2,4-6H
InChIKeyBSMHQDMYFUKCSO-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of quinolin-4-one?
The IUPAC name of quinolin-4-one (CID 132576000) is quinolin-4-one.
What is the SMILES notation for quinolin-4-one?
The canonical SMILES for quinolin-4-one is O=C1C=CN=C2C=CC=C=C12.
What is the InChIKey of quinolin-4-one?
The InChIKey is BSMHQDMYFUKCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-2,4-6H.
What are the key properties of quinolin-4-one?
quinolin-4-one has a molecular weight of 143.14 g/mol, XLogP of 1.18, 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 132576000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).