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

C11H9BrFNO — CID 107628096

IUPAC8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Br)ccc(F)c2c(=O)c1C
InChIInChI=1S/C11H9BrFNO/c1-5-6(2)14-10-7(12)3-4-8(13)9(10)11(5)15/h3-4H,1-2H3,(H,14,15)
InChIKeyNMRWYEPQXVKDKB-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.05
Rot. Bonds

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

8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one (PubChem CID 107628096) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
PubChem CID107628096
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Br)ccc(F)c2c(=O)c1C
InChIInChI=1S/C11H9BrFNO/c1-5-6(2)14-10-7(12)3-4-8(13)9(10)11(5)15/h3-4H,1-2H3,(H,14,15)
InChIKeyNMRWYEPQXVKDKB-UHFFFAOYSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-fluoro-2,3,8-trimethyl-1H-quinolin-4-one
CID 107593541
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107628071
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 107628076
8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
CID 107628086
8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 66917247
(7-bromo-2,4-dimethyl-1H-indol-3-yl)methanol
CID 130050268
7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one
CID 121237111
6-bromo-2,3,7-trimethyl-1H-indole
CID 130050197
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one?
The IUPAC name of 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one (CID 107628096) is 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one is Cc1[nH]c2c(Br)ccc(F)c2c(=O)c1C.
What is the InChIKey of 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one?
The InChIKey is NMRWYEPQXVKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-5-6(2)14-10-7(12)3-4-8(13)9(10)11(5)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one?
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one has a molecular weight of 270.10 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 107628096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).