6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one

C10H6BrClFNO — CID 114759607

IUPAC6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
SMILESCc1cc(Br)c(F)c2c(=O)c(Cl)c[nH]c12
InChIInChI=1S/C10H6BrClFNO/c1-4-2-5(11)8(13)7-9(4)14-3-6(12)10(7)15/h2-3H,1H3,(H,14,15)
InChIKeyMRENOYCYTZILDW-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.39
Rot. Bonds

About 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one

6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one (PubChem CID 114759607) has the molecular formula C10H6BrClFNO and a molecular weight of 290.52 g/mol. Its IUPAC name is 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
PubChem CID114759607
Molecular FormulaC10H6BrClFNO
Molecular Weight290.52 g/mol
Exact Mass288.93
IUPAC Name6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
SMILESCc1cc(Br)c(F)c2c(=O)c(Cl)c[nH]c12
InChIInChI=1S/C10H6BrClFNO/c1-4-2-5(11)8(13)7-9(4)14-3-6(12)10(7)15/h2-3H,1H3,(H,14,15)
InChIKeyMRENOYCYTZILDW-UHFFFAOYSA-N
XLogP3.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
CID 107627876
7-bromo-4-chloro-3-methyl-1H-indole
CID 69463982
5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 107593505
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
3-chloro-4-iodo-7-methyl-1H-indole
CID 130052075
3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759440
3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one
CID 107370151
3-chloro-6,8-dimethyl-1H-1,7-naphthyridin-4-one
CID 102941601
ethyl 8-bromo-5-chloro-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 104725011
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
3-bromo-2-chloro-6-fluoro-5-methylbenzoic acid
CID 164895101

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one (CID 114759607) is 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one is Cc1cc(Br)c(F)c2c(=O)c(Cl)c[nH]c12.
What is the InChIKey of 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one?
The InChIKey is MRENOYCYTZILDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNO/c1-4-2-5(11)8(13)7-9(4)14-3-6(12)10(7)15/h2-3H,1H3,(H,14,15).
What are the key properties of 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one?
6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one has a molecular weight of 290.52 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 114759607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).