6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine

C16H12BrFN2O — CID 64854002

IUPAC6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine
SMILESCc1ccc(F)c(Oc2c(N)cnc3ccc(Br)cc23)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-12(18)15(6-9)21-16-11-7-10(17)3-5-14(11)20-8-13(16)19/h2-8H,19H2,1H3
InChIKeySZPSAVQQLNAYOK-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.82
Rot. Bonds2

About 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine

6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine (PubChem CID 64854002) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine
PubChem CID64854002
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine
SMILESCc1ccc(F)c(Oc2c(N)cnc3ccc(Br)cc23)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-12(18)15(6-9)21-16-11-7-10(17)3-5-14(11)20-8-13(16)19/h2-8H,19H2,1H3
InChIKeySZPSAVQQLNAYOK-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine (CID 64854002) is 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine is Cc1ccc(F)c(Oc2c(N)cnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine?
The InChIKey is SZPSAVQQLNAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-2-4-12(18)15(6-9)21-16-11-7-10(17)3-5-14(11)20-8-13(16)19/h2-8H,19H2,1H3.
What are the key properties of 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine?
6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-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 6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine is sourced from PubChem (CID 64854002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).