3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine

C16H13BrN2O2 — CID 106949789

IUPAC3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
SMILESCOc1ccccc1Oc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H13BrN2O2/c1-20-13-4-2-3-5-14(13)21-15-7-6-12(18)11-8-10(17)9-19-16(11)15/h2-9H,18H2,1H3
InChIKeyUILHOYHXKHWDDD-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.38
Rot. Bonds3

About 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine

3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine (PubChem CID 106949789) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
PubChem CID106949789
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
SMILESCOc1ccccc1Oc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H13BrN2O2/c1-20-13-4-2-3-5-14(13)21-15-7-6-12(18)11-8-10(17)9-19-16(11)15/h2-9H,18H2,1H3
InChIKeyUILHOYHXKHWDDD-UHFFFAOYSA-N
XLogP4.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.38
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-fluorophenoxy)quinolin-5-amine
CID 106949774
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
CID 106949776
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
3-bromo-8-[(2-bromophenyl)methoxy]quinolin-5-amine
CID 106949907
[4-(5-amino-3-bromoquinolin-8-yl)oxyphenyl]methanol
CID 106949853
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 61227895
3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-(2-methylphenyl)sulfanylquinolin-5-amine
CID 106949970

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine (CID 106949789) is 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine is COc1ccccc1Oc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine?
The InChIKey is UILHOYHXKHWDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-20-13-4-2-3-5-14(13)21-15-7-6-12(18)11-8-10(17)9-19-16(11)15/h2-9H,18H2,1H3.
What are the key properties of 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine?
3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine has a molecular weight of 345.20 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine is sourced from PubChem (CID 106949789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).