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

C18H15N3O3S — CID 11210381

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4nc(N)sc4c3)c2cc1OC
InChIInChI=1S/C18H15N3O3S/c1-22-15-8-11-13(9-16(15)23-2)20-6-5-14(11)24-10-3-4-12-17(7-10)25-18(19)21-12/h3-9H,1-2H3,(H2,19,21)
InChIKeyORYJVRQYSMBITC-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.24
Rot. Bonds4

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

6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine (PubChem CID 11210381) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
PubChem CID11210381
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc4nc(N)sc4c3)c2cc1OC
InChIInChI=1S/C18H15N3O3S/c1-22-15-8-11-13(9-16(15)23-2)20-6-5-14(11)24-10-3-4-12-17(7-10)25-18(19)21-12/h3-9H,1-2H3,(H2,19,21)
InChIKeyORYJVRQYSMBITC-UHFFFAOYSA-N
XLogP4.24
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.24
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-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine (CID 11210381) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine is COc1cc2nccc(Oc3ccc4nc(N)sc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
The InChIKey is ORYJVRQYSMBITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-22-15-8-11-13(9-16(15)23-2)20-6-5-14(11)24-10-3-4-12-17(7-10)25-18(19)21-12/h3-9H,1-2H3,(H2,19,21).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine has a molecular weight of 353.40 g/mol, XLogP of 4.24, 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-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11210381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).