8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine

C16H12BrFN2O — CID 83165372

IUPAC8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
SMILESCc1cc(Oc2c(F)cc(N)c3cccnc23)ccc1Br
InChIInChI=1S/C16H12BrFN2O/c1-9-7-10(4-5-12(9)17)21-16-13(18)8-14(19)11-3-2-6-20-15(11)16/h2-8H,19H2,1H3
InChIKeyZDHYKWVOFFAAIZ-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.82
Rot. Bonds2

About 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine

8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine (PubChem CID 83165372) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
PubChem CID83165372
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
SMILESCc1cc(Oc2c(F)cc(N)c3cccnc23)ccc1Br
InChIInChI=1S/C16H12BrFN2O/c1-9-7-10(4-5-12(9)17)21-16-13(18)8-14(19)11-3-2-6-20-15(11)16/h2-8H,19H2,1H3
InChIKeyZDHYKWVOFFAAIZ-UHFFFAOYSA-N
XLogP4.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine
CID 83165520
3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
CID 83165691
8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
CID 116800254
7-fluoro-8-(2-iodophenoxy)quinolin-5-amine
CID 83165526
4-(4-bromo-3-methylphenoxy)quinolin-3-amine
CID 103963762
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
CID 83164661
4-(5-bromoquinolin-8-yl)oxy-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19152831
8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163885
5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
CID 83173957

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine (CID 83165372) is 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine is Cc1cc(Oc2c(F)cc(N)c3cccnc23)ccc1Br.
What is the InChIKey of 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine?
The InChIKey is ZDHYKWVOFFAAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-7-10(4-5-12(9)17)21-16-13(18)8-14(19)11-3-2-6-20-15(11)16/h2-8H,19H2,1H3.
What are the key properties of 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine?
8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine has a molecular weight of 347.19 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83165372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).