N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine

C15H12BrClN2O — CID 104652287

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
SMILESCC(Nc1cc(Cl)cc2cccnc12)c1ccc(Br)o1
InChIInChI=1S/C15H12BrClN2O/c1-9(13-4-5-14(16)20-13)19-12-8-11(17)7-10-3-2-6-18-15(10)12/h2-9,19H,1H3
InChIKeyRJOITDQMVHCKFI-UHFFFAOYSA-N
MW351.63 g/mol
LogP5.42
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine

N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine (PubChem CID 104652287) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
PubChem CID104652287
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
SMILESCC(Nc1cc(Cl)cc2cccnc12)c1ccc(Br)o1
InChIInChI=1S/C15H12BrClN2O/c1-9(13-4-5-14(16)20-13)19-12-8-11(17)7-10-3-2-6-18-15(10)12/h2-9,19H,1H3
InChIKeyRJOITDQMVHCKFI-UHFFFAOYSA-N
XLogP5.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.63
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
CID 43672409
6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
CID 43672450
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
CID 104652307
6-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-8-amine
CID 43778931
6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
CID 115928687
1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine
CID 104653173
6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115928689
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
CID 104652980
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
CID 104652628

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine (CID 104652287) is N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine is CC(Nc1cc(Cl)cc2cccnc12)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine?
The InChIKey is RJOITDQMVHCKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-9(13-4-5-14(16)20-13)19-12-8-11(17)7-10-3-2-6-18-15(10)12/h2-9,19H,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine has a molecular weight of 351.63 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine is sourced from PubChem (CID 104652287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).