4H-quinolin-8-one

C9H7NO — CID 18187031

IUPAC4H-quinolin-8-one
SMILESO=C1C=CC=C2CC=CN=C12
InChIInChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-3,5-6H,4H2
InChIKeyDNUXGUCFLJMGJV-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.41
Rot. Bonds

About 4H-quinolin-8-one

4H-quinolin-8-one (PubChem CID 18187031) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4H-quinolin-8-one.

Molecular Properties

Compound Name4H-quinolin-8-one
PubChem CID18187031
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4H-quinolin-8-one
SMILESO=C1C=CC=C2CC=CN=C12
InChIInChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-3,5-6H,4H2
InChIKeyDNUXGUCFLJMGJV-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

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Related Compounds

Indol-7-one
CID 18376413
4aH-quinolin-4-one
CID 45074595
Isoquinoline-7-one
CID 67245344
Indole-5,7-dione
CID 69829072
Cyclohepta[b]pyridin-4-one
CID 91267558
7H-isoquinolin-6-one
CID 123935586
Benz[e]indol-4-one
CID 129675893
Dibenzazocinone
CID 87490799
Cyclopent-(b)-azocin-9-one
CID 129711538
7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-fluoro-7-methyl-8H-quinolin-4-one
CID 71304097
6-fluoro-6H-quinolin-4-one
CID 76538849

Frequently Asked Questions

What is the IUPAC name of 4H-quinolin-8-one?
The IUPAC name of 4H-quinolin-8-one (CID 18187031) is 4H-quinolin-8-one.
What is the SMILES notation for 4H-quinolin-8-one?
The canonical SMILES for 4H-quinolin-8-one is O=C1C=CC=C2CC=CN=C12.
What is the InChIKey of 4H-quinolin-8-one?
The InChIKey is DNUXGUCFLJMGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-3,5-6H,4H2.
What are the key properties of 4H-quinolin-8-one?
4H-quinolin-8-one has a molecular weight of 145.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-quinolin-8-one is sourced from PubChem (CID 18187031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).