6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine

C18H14FN3O3S — CID 11303237

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3cc4sc(N)nc4cc3F)c2cc1OC
InChIInChI=1S/C18H14FN3O3S/c1-23-15-5-9-11(7-16(15)24-2)21-4-3-13(9)25-14-8-17-12(6-10(14)19)22-18(20)26-17/h3-8H,1-2H3,(H2,20,22)
InChIKeyAFIYYGFBBBNREQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.38
Rot. Bonds4

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine

6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 11303237) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID11303237
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3cc4sc(N)nc4cc3F)c2cc1OC
InChIInChI=1S/C18H14FN3O3S/c1-23-15-5-9-11(7-16(15)24-2)21-4-3-13(9)25-14-8-17-12(6-10(14)19)22-18(20)26-17/h3-8H,1-2H3,(H2,20,22)
InChIKeyAFIYYGFBBBNREQ-UHFFFAOYSA-N
XLogP4.38
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine (CID 11303237) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine is COc1cc2nccc(Oc3cc4sc(N)nc4cc3F)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is AFIYYGFBBBNREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-23-15-5-9-11(7-16(15)24-2)21-4-3-13(9)25-14-8-17-12(6-10(14)19)22-18(20)26-17/h3-8H,1-2H3,(H2,20,22).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 371.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11303237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).