2H-quinolin-6-one

C9H7NO — CID 19896809

IUPAC2H-quinolin-6-one
SMILESO=C1C=CC2=NCC=CC2=C1
InChIInChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-4,6H,5H2
InChIKeyLLSHOYIWBZFPKQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.06
Rot. Bonds

About 2H-quinolin-6-one

2H-quinolin-6-one (PubChem CID 19896809) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 2H-quinolin-6-one.

Molecular Properties

Compound Name2H-quinolin-6-one
PubChem CID19896809
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name2H-quinolin-6-one
SMILESO=C1C=CC2=NCC=CC2=C1
InChIInChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-4,6H,5H2
InChIKeyLLSHOYIWBZFPKQ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-quinolin-6-one?
The IUPAC name of 2H-quinolin-6-one (CID 19896809) is 2H-quinolin-6-one.
What is the SMILES notation for 2H-quinolin-6-one?
The canonical SMILES for 2H-quinolin-6-one is O=C1C=CC2=NCC=CC2=C1.
What is the InChIKey of 2H-quinolin-6-one?
The InChIKey is LLSHOYIWBZFPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-4,6H,5H2.
What are the key properties of 2H-quinolin-6-one?
2H-quinolin-6-one has a molecular weight of 145.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinolin-6-one is sourced from PubChem (CID 19896809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).