4H-benzo[f]quinolin-7-one

C13H9NO — CID 54318476

IUPAC4H-benzo[f]quinolin-7-one
SMILESO=c1cccc2c1ccc1[nH]cccc12
InChIInChI=1S/C13H9NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1-8,14H
InChIKeyZUSCRJRVDOSNIB-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.68
Rot. Bonds

About 4H-benzo[f]quinolin-7-one

4H-benzo[f]quinolin-7-one (PubChem CID 54318476) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 4H-benzo[f]quinolin-7-one.

Molecular Properties

Compound Name4H-benzo[f]quinolin-7-one
PubChem CID54318476
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name4H-benzo[f]quinolin-7-one
SMILESO=c1cccc2c1ccc1[nH]cccc12
InChIInChI=1S/C13H9NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1-8,14H
InChIKeyZUSCRJRVDOSNIB-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4H-benzo[f]quinolin-7-one?
The IUPAC name of 4H-benzo[f]quinolin-7-one (CID 54318476) is 4H-benzo[f]quinolin-7-one.
What is the SMILES notation for 4H-benzo[f]quinolin-7-one?
The canonical SMILES for 4H-benzo[f]quinolin-7-one is O=c1cccc2c1ccc1[nH]cccc12.
What is the InChIKey of 4H-benzo[f]quinolin-7-one?
The InChIKey is ZUSCRJRVDOSNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1-8,14H.
What are the key properties of 4H-benzo[f]quinolin-7-one?
4H-benzo[f]quinolin-7-one has a molecular weight of 195.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[f]quinolin-7-one is sourced from PubChem (CID 54318476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).