7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline

C13H13BrFN — CID 165443851

IUPAC7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline
SMILESCCc1nc2cc(Br)c(F)cc2c(C)c1C
InChIInChI=1S/C13H13BrFN/c1-4-12-8(3)7(2)9-5-11(15)10(14)6-13(9)16-12/h5-6H,4H2,1-3H3
InChIKeyKSYSROFIEGFCGB-UHFFFAOYSA-N
MW282.16 g/mol
LogP4.32
Rot. Bonds1

About 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline

7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline (PubChem CID 165443851) has the molecular formula C13H13BrFN and a molecular weight of 282.16 g/mol. Its IUPAC name is 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline.

Molecular Properties

Compound Name7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline
PubChem CID165443851
Molecular FormulaC13H13BrFN
Molecular Weight282.16 g/mol
Exact Mass281.02
IUPAC Name7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline
SMILESCCc1nc2cc(Br)c(F)cc2c(C)c1C
InChIInChI=1S/C13H13BrFN/c1-4-12-8(3)7(2)9-5-11(15)10(14)6-13(9)16-12/h5-6H,4H2,1-3H3
InChIKeyKSYSROFIEGFCGB-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-6-fluoro-3,4,7-trimethylquinoline
CID 165443842
2-ethyl-3-fluoro-5-methylquinolin-6-amine
CID 166948331
(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
6-chloro-2-ethyl-7-fluoro-N,3-dimethylquinolin-4-amine
CID 113363430
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873
5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
CID 104671016
(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate
CID 22222485
6-bromo-5-fluoro-2,3-dimethylindazole
CID 155895487
4,5,7-trichloro-2-ethyl-6-fluoro-3-methylquinoline
CID 107577499
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
2-ethyl-8-fluoro-3,6-dimethylquinolin-4-amine
CID 63562436
6-bromo-1-ethyl-5-fluoro-2-methylbenzimidazole
CID 144859184

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline?
The IUPAC name of 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline (CID 165443851) is 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline.
What is the SMILES notation for 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline?
The canonical SMILES for 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline is CCc1nc2cc(Br)c(F)cc2c(C)c1C.
What is the InChIKey of 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline?
The InChIKey is KSYSROFIEGFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN/c1-4-12-8(3)7(2)9-5-11(15)10(14)6-13(9)16-12/h5-6H,4H2,1-3H3.
What are the key properties of 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline?
7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline has a molecular weight of 282.16 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline is sourced from PubChem (CID 165443851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).