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

C15H10BrFN2O — CID 106949774

IUPAC3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
SMILESNc1ccc(Oc2ccccc2F)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrFN2O/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
InChIKeyGICQVZRFPUWGEM-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.51
Rot. Bonds2

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

3-bromo-8-(2-fluorophenoxy)quinolin-5-amine (PubChem CID 106949774) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
PubChem CID106949774
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name3-bromo-8-(2-fluorophenoxy)quinolin-5-amine
SMILESNc1ccc(Oc2ccccc2F)c2ncc(Br)cc12
InChIInChI=1S/C15H10BrFN2O/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
InChIKeyGICQVZRFPUWGEM-UHFFFAOYSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
CID 106949789
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-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
3-bromo-8-phenylsulfanylquinolin-5-amine
CID 106949932
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine (CID 106949774) is 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine is Nc1ccc(Oc2ccccc2F)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-8-(2-fluorophenoxy)quinolin-5-amine?
The InChIKey is GICQVZRFPUWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/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-fluorophenoxy)quinolin-5-amine?
3-bromo-8-(2-fluorophenoxy)quinolin-5-amine has a molecular weight of 333.16 g/mol, XLogP of 4.51, 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-fluorophenoxy)quinolin-5-amine is sourced from PubChem (CID 106949774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).