3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one

C10H7BrFNO2 — CID 114759442

IUPAC3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
SMILESCOc1cc(F)cc2c(=O)c(Br)c[nH]c12
InChIInChI=1S/C10H7BrFNO2/c1-15-8-3-5(12)2-6-9(8)13-4-7(11)10(6)14/h2-4H,1H3,(H,13,14)
InChIKeyOPSPCWUUWAUDTC-UHFFFAOYSA-N
MW272.07 g/mol
LogP2.44
Rot. Bonds1

About 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one

3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one (PubChem CID 114759442) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
PubChem CID114759442
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Name3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
SMILESCOc1cc(F)cc2c(=O)c(Br)c[nH]c12
InChIInChI=1S/C10H7BrFNO2/c1-15-8-3-5(12)2-6-9(8)13-4-7(11)10(6)14/h2-4H,1H3,(H,13,14)
InChIKeyOPSPCWUUWAUDTC-UHFFFAOYSA-N
XLogP2.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one (CID 114759442) is 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one is COc1cc(F)cc2c(=O)c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one?
The InChIKey is OPSPCWUUWAUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c1-15-8-3-5(12)2-6-9(8)13-4-7(11)10(6)14/h2-4H,1H3,(H,13,14).
What are the key properties of 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one?
3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one has a molecular weight of 272.07 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 114759442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).