3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine

C17H14BrFN2 — CID 116783437

IUPAC3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2/c1-11(12-5-7-15(19)8-6-12)21-16-4-2-3-13-9-14(18)10-20-17(13)16/h2-11,21H,1H3
InChIKeyKOMCZKJZHSPOPO-UHFFFAOYSA-N
MW345.22 g/mol
LogP5.31
Rot. Bonds3

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

3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine (PubChem CID 116783437) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
PubChem CID116783437
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2/c1-11(12-5-7-15(19)8-6-12)21-16-4-2-3-13-9-14(18)10-20-17(13)16/h2-11,21H,1H3
InChIKeyKOMCZKJZHSPOPO-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.22
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
CID 116783492
5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718989
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
CID 102616013
3-bromo-N-phenylquinolin-8-amine
CID 86754991

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine (CID 116783437) is 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine is CC(Nc1cccc2cc(Br)cnc12)c1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine?
The InChIKey is KOMCZKJZHSPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c1-11(12-5-7-15(19)8-6-12)21-16-4-2-3-13-9-14(18)10-20-17(13)16/h2-11,21H,1H3.
What are the key properties of 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine?
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine has a molecular weight of 345.22 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine is sourced from PubChem (CID 116783437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).