6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine

C17H12BrClF2N2 — CID 126531927

IUPAC6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine
SMILESCC(Nc1c(Cl)cnc2c(F)cc(Br)cc12)c1ccccc1F
InChIInChI=1S/C17H12BrClF2N2/c1-9(11-4-2-3-5-14(11)20)23-16-12-6-10(18)7-15(21)17(12)22-8-13(16)19/h2-9H,1H3,(H,22,23)
InChIKeyZIMSBOZUBWQIMK-UHFFFAOYSA-N
MW397.65 g/mol
LogP6.10
Rot. Bonds3

About 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine

6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine (PubChem CID 126531927) has the molecular formula C17H12BrClF2N2 and a molecular weight of 397.65 g/mol. Its IUPAC name is 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine
PubChem CID126531927
Molecular FormulaC17H12BrClF2N2
Molecular Weight397.65 g/mol
Exact Mass395.98
IUPAC Name6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine
SMILESCC(Nc1c(Cl)cnc2c(F)cc(Br)cc12)c1ccccc1F
InChIInChI=1S/C17H12BrClF2N2/c1-9(11-4-2-3-5-14(11)20)23-16-12-6-10(18)7-15(21)17(12)22-8-13(16)19/h2-9H,1H3,(H,22,23)
InChIKeyZIMSBOZUBWQIMK-UHFFFAOYSA-N
XLogP6.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.65
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]-3-chloro-8-fluoroquinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126530947
5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114050357
2-[5-[7-chloro-8-[1-(2-fluorophenyl)ethylamino]-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol
CID 162646703
3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
CID 126532026
2-[5-[3-chloro-5-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126531617
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)quinolin-4-amine
CID 126532375
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-[5-[3-[(1R)-1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]pyrimidin-2-yl]propan-2-ol
CID 126531760
3-amino-3-[4-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]cyclobutan-1-ol
CID 126531121
1-[4-[3-chloro-7-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]-2-(methylamino)ethanol
CID 126532692

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine?
The IUPAC name of 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine (CID 126531927) is 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine?
The canonical SMILES for 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine is CC(Nc1c(Cl)cnc2c(F)cc(Br)cc12)c1ccccc1F.
What is the InChIKey of 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine?
The InChIKey is ZIMSBOZUBWQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClF2N2/c1-9(11-4-2-3-5-14(11)20)23-16-12-6-10(18)7-15(21)17(12)22-8-13(16)19/h2-9H,1H3,(H,22,23).
What are the key properties of 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine?
6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine has a molecular weight of 397.65 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 126531927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).