N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide

C24H19N3O4S — CID 11408185

IUPACN,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCc5nccs5)ccc34)ccc12
InChIInChI=1S/C24H19N3O4S/c1-14-23(24(28)25-2)18-6-4-16(12-21(18)30-14)31-20-7-8-26-19-11-15(3-5-17(19)20)29-13-22-27-9-10-32-22/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyMDWIUOLFQXHACK-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.48
Rot. Bonds6

About N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide

N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 11408185) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID11408185
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC NameN,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCc5nccs5)ccc34)ccc12
InChIInChI=1S/C24H19N3O4S/c1-14-23(24(28)25-2)18-6-4-16(12-21(18)30-14)31-20-7-8-26-19-11-15(3-5-17(19)20)29-13-22-27-9-10-32-22/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyMDWIUOLFQXHACK-UHFFFAOYSA-N
XLogP5.48
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (CID 11408185) is N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCc5nccs5)ccc34)ccc12.
What is the InChIKey of N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is MDWIUOLFQXHACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-14-23(24(28)25-2)18-6-4-16(12-21(18)30-14)31-20-7-8-26-19-11-15(3-5-17(19)20)29-13-22-27-9-10-32-22/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[7-(1,3-thiazol-2-ylmethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 11408185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).