4-(4-bromo-2-methylphenoxy)quinolin-3-amine

C16H13BrN2O — CID 103963717

IUPAC4-(4-bromo-2-methylphenoxy)quinolin-3-amine
SMILESCc1cc(Br)ccc1Oc1c(N)cnc2ccccc12
InChIInChI=1S/C16H13BrN2O/c1-10-8-11(17)6-7-15(10)20-16-12-4-2-3-5-14(12)19-9-13(16)18/h2-9H,18H2,1H3
InChIKeyYAHUJPWZDPLMBA-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.68
Rot. Bonds2

About 4-(4-bromo-2-methylphenoxy)quinolin-3-amine

4-(4-bromo-2-methylphenoxy)quinolin-3-amine (PubChem CID 103963717) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)quinolin-3-amine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)quinolin-3-amine
PubChem CID103963717
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-(4-bromo-2-methylphenoxy)quinolin-3-amine
SMILESCc1cc(Br)ccc1Oc1c(N)cnc2ccccc12
InChIInChI=1S/C16H13BrN2O/c1-10-8-11(17)6-7-15(10)20-16-12-4-2-3-5-14(12)19-9-13(16)18/h2-9H,18H2,1H3
InChIKeyYAHUJPWZDPLMBA-UHFFFAOYSA-N
XLogP4.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-methylphenoxy)quinolin-3-amine
CID 103963762
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
4-(2,5-dichlorophenoxy)quinolin-3-amine
CID 103963597
6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine
CID 64854002
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
6-bromo-4-(3-bromophenoxy)quinolin-3-amine
CID 43621410
2-(3-aminoquinolin-4-yl)oxybenzamide
CID 103963644
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601
4-(4-methylsulfanylphenoxy)quinolin-3-amine
CID 103963721
4-(3-methylbutan-2-yloxy)quinolin-3-amine
CID 113359457
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570
4-[3-(methoxymethyl)phenoxy]quinolin-3-amine
CID 103963726

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)quinolin-3-amine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)quinolin-3-amine (CID 103963717) is 4-(4-bromo-2-methylphenoxy)quinolin-3-amine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)quinolin-3-amine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)quinolin-3-amine is Cc1cc(Br)ccc1Oc1c(N)cnc2ccccc12.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)quinolin-3-amine?
The InChIKey is YAHUJPWZDPLMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-8-11(17)6-7-15(10)20-16-12-4-2-3-5-14(12)19-9-13(16)18/h2-9H,18H2,1H3.
What are the key properties of 4-(4-bromo-2-methylphenoxy)quinolin-3-amine?
4-(4-bromo-2-methylphenoxy)quinolin-3-amine has a molecular weight of 329.20 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)quinolin-3-amine is sourced from PubChem (CID 103963717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).