5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one

C12H11BrFNO — CID 107593541

IUPAC5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)cc(F)c(Br)c2c(=O)c1C
InChIInChI=1S/C12H11BrFNO/c1-5-4-8(14)10(13)9-11(5)15-7(3)6(2)12(9)16/h4H,1-3H3,(H,15,16)
InChIKeyNPHKTUMZNKVETE-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.35
Rot. Bonds

About 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one

5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one (PubChem CID 107593541) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one
PubChem CID107593541
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)cc(F)c(Br)c2c(=O)c1C
InChIInChI=1S/C12H11BrFNO/c1-5-4-8(14)10(13)9-11(5)15-7(3)6(2)12(9)16/h4H,1-3H3,(H,15,16)
InChIKeyNPHKTUMZNKVETE-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 107593505
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
CID 107593527
8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 156888488
N-(2,3,8-trimethyl-4-oxo-1H-quinolin-6-yl)acetamide
CID 125463946
8-bromo-5,7-difluoro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 102854731
(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid
CID 121293830
2,3,5,7-tetramethyl-1H-1,8-naphthyridin-4-one
CID 13155599
4-bromo-5-fluoro-7-methyl-1H-indole
CID 74888584
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one (CID 107593541) is 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one is Cc1[nH]c2c(C)cc(F)c(Br)c2c(=O)c1C.
What is the InChIKey of 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one?
The InChIKey is NPHKTUMZNKVETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-5-4-8(14)10(13)9-11(5)15-7(3)6(2)12(9)16/h4H,1-3H3,(H,15,16).
What are the key properties of 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one?
5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one has a molecular weight of 284.13 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 107593541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).