5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one

C11H8BrF2NO2 — CID 62891409

IUPAC5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one
SMILESCOc1ccc(Br)c2c(=O)cc(C(F)F)[nH]c12
InChIInChI=1S/C11H8BrF2NO2/c1-17-8-3-2-5(12)9-7(16)4-6(11(13)14)15-10(8)9/h2-4,11H,1H3,(H,15,16)
InChIKeyYTAMSZKDOBZVPP-UHFFFAOYSA-N
MW304.09 g/mol
LogP3.24
Rot. Bonds2

About 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one

5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one (PubChem CID 62891409) has the molecular formula C11H8BrF2NO2 and a molecular weight of 304.09 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one
PubChem CID62891409
Molecular FormulaC11H8BrF2NO2
Molecular Weight304.09 g/mol
Exact Mass302.97
IUPAC Name5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one
SMILESCOc1ccc(Br)c2c(=O)cc(C(F)F)[nH]c12
InChIInChI=1S/C11H8BrF2NO2/c1-17-8-3-2-5(12)9-7(16)4-6(11(13)14)15-10(8)9/h2-4,11H,1H3,(H,15,16)
InChIKeyYTAMSZKDOBZVPP-UHFFFAOYSA-N
XLogP3.24
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one (CID 62891409) is 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one is COc1ccc(Br)c2c(=O)cc(C(F)F)[nH]c12.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one?
The InChIKey is YTAMSZKDOBZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO2/c1-17-8-3-2-5(12)9-7(16)4-6(11(13)14)15-10(8)9/h2-4,11H,1H3,(H,15,16).
What are the key properties of 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one?
5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one has a molecular weight of 304.09 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 62891409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).