6H-quinolin-2-one;hydrobromide

C9H8BrNO — CID 131715686

IUPAC6H-quinolin-2-one;hydrobromide
SMILESBr.O=C1C=CC2=CCC=CC2=N1
InChIInChI=1S/C9H7NO.BrH/c11-9-6-5-7-3-1-2-4-8(7)10-9;/h2-6H,1H2;1H
InChIKeyXZPVOGYLMXFCCR-UHFFFAOYSA-N
MW226.07 g/mol
LogP1.99
Rot. Bonds

About 6H-quinolin-2-one;hydrobromide

6H-quinolin-2-one;hydrobromide (PubChem CID 131715686) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6H-quinolin-2-one;hydrobromide.

Molecular Properties

Compound Name6H-quinolin-2-one;hydrobromide
PubChem CID131715686
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6H-quinolin-2-one;hydrobromide
SMILESBr.O=C1C=CC2=CCC=CC2=N1
InChIInChI=1S/C9H7NO.BrH/c11-9-6-5-7-3-1-2-4-8(7)10-9;/h2-6H,1H2;1H
InChIKeyXZPVOGYLMXFCCR-UHFFFAOYSA-N
XLogP1.99
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6H-quinolin-2-one;hydrobromide?
The IUPAC name of 6H-quinolin-2-one;hydrobromide (CID 131715686) is 6H-quinolin-2-one;hydrobromide.
What is the SMILES notation for 6H-quinolin-2-one;hydrobromide?
The canonical SMILES for 6H-quinolin-2-one;hydrobromide is Br.O=C1C=CC2=CCC=CC2=N1.
What is the InChIKey of 6H-quinolin-2-one;hydrobromide?
The InChIKey is XZPVOGYLMXFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.BrH/c11-9-6-5-7-3-1-2-4-8(7)10-9;/h2-6H,1H2;1H.
What are the key properties of 6H-quinolin-2-one;hydrobromide?
6H-quinolin-2-one;hydrobromide has a molecular weight of 226.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-quinolin-2-one;hydrobromide is sourced from PubChem (CID 131715686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).