3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine

C13H16BrN3O — CID 106949847

IUPAC3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
SMILESCN(C)CCOc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C13H16BrN3O/c1-17(2)5-6-18-12-4-3-11(15)10-7-9(14)8-16-13(10)12/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyJJJMJDQOOUWAPX-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.52
Rot. Bonds4

About 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine

3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine (PubChem CID 106949847) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
PubChem CID106949847
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
SMILESCN(C)CCOc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C13H16BrN3O/c1-17(2)5-6-18-12-4-3-11(15)10-7-9(14)8-16-13(10)12/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyJJJMJDQOOUWAPX-UHFFFAOYSA-N
XLogP2.52
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-8-[(2-bromophenyl)methoxy]quinolin-5-amine
CID 106949907
3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
CID 106949789
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
2-[(5-amino-3-bromoquinolin-8-yl)-(2-methoxyethyl)amino]ethanol
CID 106949605
3-bromo-8-N-methyl-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 106949135
[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol
CID 106949853
3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
CID 106949774
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
CID 106949776
3-bromo-8-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-5,8-diamine
CID 106036709
3-bromo-8-N-methyl-8-N-(pyridin-4-ylmethyl)quinoline-5,8-diamine
CID 106949059
3-bromo-8-[2-(diethylamino)ethylsulfanyl]quinolin-5-amine
CID 106950007

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine?
The IUPAC name of 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine (CID 106949847) is 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine?
The canonical SMILES for 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine is CN(C)CCOc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine?
The InChIKey is JJJMJDQOOUWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-17(2)5-6-18-12-4-3-11(15)10-7-9(14)8-16-13(10)12/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine?
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine has a molecular weight of 310.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine is sourced from PubChem (CID 106949847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).