1H-benzo[h]quinolin-8-one

C13H9NO — CID 55268579

IUPAC1H-benzo[h]quinolin-8-one
SMILESO=c1ccc2c(ccc3ccc[nH]c32)c1
InChIInChI=1S/C13H9NO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-14-13(9)12/h1-8,14H
InChIKeyILSCPMYSYBNQNY-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.68
Rot. Bonds

About 1H-benzo[h]quinolin-8-one

1H-benzo[h]quinolin-8-one (PubChem CID 55268579) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 1H-benzo[h]quinolin-8-one.

Molecular Properties

Compound Name1H-benzo[h]quinolin-8-one
PubChem CID55268579
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name1H-benzo[h]quinolin-8-one
SMILESO=c1ccc2c(ccc3ccc[nH]c32)c1
InChIInChI=1S/C13H9NO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-14-13(9)12/h1-8,14H
InChIKeyILSCPMYSYBNQNY-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 1H-benzo[h]quinolin-8-one?
The IUPAC name of 1H-benzo[h]quinolin-8-one (CID 55268579) is 1H-benzo[h]quinolin-8-one.
What is the SMILES notation for 1H-benzo[h]quinolin-8-one?
The canonical SMILES for 1H-benzo[h]quinolin-8-one is O=c1ccc2c(ccc3ccc[nH]c32)c1.
What is the InChIKey of 1H-benzo[h]quinolin-8-one?
The InChIKey is ILSCPMYSYBNQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-14-13(9)12/h1-8,14H.
What are the key properties of 1H-benzo[h]quinolin-8-one?
1H-benzo[h]quinolin-8-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 1H-benzo[h]quinolin-8-one is sourced from PubChem (CID 55268579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).