5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine

C12H12BrFN2 — CID 107594176

IUPAC5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine
SMILESCNc1nc2c(C)cc(F)c(Br)c2cc1C
InChIInChI=1S/C12H12BrFN2/c1-6-5-9(14)10(13)8-4-7(2)12(15-3)16-11(6)8/h4-5H,1-3H3,(H,15,16)
InChIKeyHSYVKTIRTCLROF-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.79
Rot. Bonds1

About 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine

5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine (PubChem CID 107594176) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine
PubChem CID107594176
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine
SMILESCNc1nc2c(C)cc(F)c(Br)c2cc1C
InChIInChI=1S/C12H12BrFN2/c1-6-5-9(14)10(13)8-4-7(2)12(15-3)16-11(6)8/h4-5H,1-3H3,(H,15,16)
InChIKeyHSYVKTIRTCLROF-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine
CID 63232314
2,5-dibromo-6-fluoro-8-methylquinoline
CID 107594212
8-fluoro-N,3,6-trimethylquinolin-2-amine
CID 63231724
5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
CID 107594160
3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
CID 103587513
N,3,5,6-tetramethylpyridin-2-amine
CID 18731726
5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
CID 102855129
5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine
CID 107593992
5,8-dibromo-6-fluoro-2-methylquinoline
CID 15148590
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556
5-bromo-N,3-diethyl-6-fluoro-2,8-dimethylquinolin-4-amine
CID 107593975
3-bromo-1,2,4-trifluoro-5-methylbenzene
CID 54030137

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine?
The IUPAC name of 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine (CID 107594176) is 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine is CNc1nc2c(C)cc(F)c(Br)c2cc1C.
What is the InChIKey of 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine?
The InChIKey is HSYVKTIRTCLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-6-5-9(14)10(13)8-4-7(2)12(15-3)16-11(6)8/h4-5H,1-3H3,(H,15,16).
What are the key properties of 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine?
5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine has a molecular weight of 283.14 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine is sourced from PubChem (CID 107594176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).