(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone

C16H9BrFNO — CID 115790959

IUPAC(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)c1ccc(F)cc1Br
InChIInChI=1S/C16H9BrFNO/c17-14-9-12(18)5-6-13(14)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H
InChIKeyOXHMOWYSFQSCAL-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.37
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone

(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone (PubChem CID 115790959) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone
PubChem CID115790959
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)c1ccc(F)cc1Br
InChIInChI=1S/C16H9BrFNO/c17-14-9-12(18)5-6-13(14)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H
InChIKeyOXHMOWYSFQSCAL-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone (CID 115790959) is (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone is O=C(c1ccc2cccnc2c1)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone?
The InChIKey is OXHMOWYSFQSCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-14-9-12(18)5-6-13(14)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H.
What are the key properties of (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone?
(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone has a molecular weight of 330.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 115790959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).