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

C15H10BrClN2O — CID 106949776

IUPAC3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
SMILESNc1ccc(Oc2ccccc2Cl)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrClN2O/c16-9-7-10-12(18)5-6-14(15(10)19-8-9)20-13-4-2-1-3-11(13)17/h1-8H,18H2
InChIKeyQIQJXVBVLLOWDT-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.03
Rot. Bonds2

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

3-bromo-8-(2-chlorophenoxy)quinolin-5-amine (PubChem CID 106949776) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
PubChem CID106949776
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
SMILESNc1ccc(Oc2ccccc2Cl)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrClN2O/c16-9-7-10-12(18)5-6-14(15(10)19-8-9)20-13-4-2-1-3-11(13)17/h1-8H,18H2
InChIKeyQIQJXVBVLLOWDT-UHFFFAOYSA-N
XLogP5.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-8-(2-chlorophenoxy)quinolin-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

3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
CID 106949774
3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
CID 106949789
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
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
8-[(3-chloro-4-pyridinyl)oxy]quinolin-5-amine
CID 79840623
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine (CID 106949776) is 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine is Nc1ccc(Oc2ccccc2Cl)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine?
The InChIKey is QIQJXVBVLLOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-9-7-10-12(18)5-6-14(15(10)19-8-9)20-13-4-2-1-3-11(13)17/h1-8H,18H2.
What are the key properties of 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine?
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine has a molecular weight of 349.62 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2-chlorophenoxy)quinolin-5-amine is sourced from PubChem (CID 106949776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).