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

C18H14FN3O3S — CID 123834453

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4nc(NF)sc4c3)c2cc1OC
InChIInChI=1S/C18H14FN3O3S/c1-23-15-8-11-13(9-16(15)24-2)20-6-5-14(11)25-10-3-4-12-17(7-10)26-18(21-12)22-19/h3-9H,1-2H3,(H,21,22)
InChIKeyFFZSPKUXACFDEB-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.95
Rot. Bonds5

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

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine (PubChem CID 123834453) 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-N-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine
PubChem CID123834453
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4nc(NF)sc4c3)c2cc1OC
InChIInChI=1S/C18H14FN3O3S/c1-23-15-8-11-13(9-16(15)24-2)20-6-5-14(11)25-10-3-4-12-17(7-10)26-18(21-12)22-19/h3-9H,1-2H3,(H,21,22)
InChIKeyFFZSPKUXACFDEB-UHFFFAOYSA-N
XLogP4.95
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine (CID 123834453) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine is COc1cc2nccc(Oc3ccc4nc(NF)sc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is FFZSPKUXACFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-23-15-8-11-13(9-16(15)24-2)20-6-5-14(11)25-10-3-4-12-17(7-10)26-18(21-12)22-19/h3-9H,1-2H3,(H,21,22).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 371.39 g/mol, XLogP of 4.95, 5 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-N-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123834453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).