7-bromo-3-(oxomethylidene)quinolin-2-one

C10H4BrNO2 — CID 45025930

IUPAC7-bromo-3-(oxomethylidene)quinolin-2-one
SMILESO=C=C1C=c2ccc(Br)cc2=NC1=O
InChIInChI=1S/C10H4BrNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-4H
InChIKeyHFGDWBAHMIFILK-UHFFFAOYSA-N
MW250.05 g/mol
LogP0.15
Rot. Bonds

About 7-bromo-3-(oxomethylidene)quinolin-2-one

7-bromo-3-(oxomethylidene)quinolin-2-one (PubChem CID 45025930) has the molecular formula C10H4BrNO2 and a molecular weight of 250.05 g/mol. Its IUPAC name is 7-bromo-3-(oxomethylidene)quinolin-2-one.

Molecular Properties

Compound Name7-bromo-3-(oxomethylidene)quinolin-2-one
PubChem CID45025930
Molecular FormulaC10H4BrNO2
Molecular Weight250.05 g/mol
Exact Mass248.94
IUPAC Name7-bromo-3-(oxomethylidene)quinolin-2-one
SMILESO=C=C1C=c2ccc(Br)cc2=NC1=O
InChIInChI=1S/C10H4BrNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-4H
InChIKeyHFGDWBAHMIFILK-UHFFFAOYSA-N
XLogP0.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(oxomethylidene)quinolin-2-one?
The IUPAC name of 7-bromo-3-(oxomethylidene)quinolin-2-one (CID 45025930) is 7-bromo-3-(oxomethylidene)quinolin-2-one.
What is the SMILES notation for 7-bromo-3-(oxomethylidene)quinolin-2-one?
The canonical SMILES for 7-bromo-3-(oxomethylidene)quinolin-2-one is O=C=C1C=c2ccc(Br)cc2=NC1=O.
What is the InChIKey of 7-bromo-3-(oxomethylidene)quinolin-2-one?
The InChIKey is HFGDWBAHMIFILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-4H.
What are the key properties of 7-bromo-3-(oxomethylidene)quinolin-2-one?
7-bromo-3-(oxomethylidene)quinolin-2-one has a molecular weight of 250.05 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(oxomethylidene)quinolin-2-one is sourced from PubChem (CID 45025930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).