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

C23H17N3O3S — CID 11292926

IUPACN,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(-c5nccs5)ccc34)ccc12
InChIInChI=1S/C23H17N3O3S/c1-13-21(22(27)24-2)17-6-4-15(12-20(17)28-13)29-19-7-8-25-18-11-14(3-5-16(18)19)23-26-9-10-30-23/h3-12H,1-2H3,(H,24,27)
InChIKeyQZJPHAVPGLLNRR-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.56
Rot. Bonds4

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

N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 11292926) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID11292926
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(-c5nccs5)ccc34)ccc12
InChIInChI=1S/C23H17N3O3S/c1-13-21(22(27)24-2)17-6-4-15(12-20(17)28-13)29-19-7-8-25-18-11-14(3-5-16(18)19)23-26-9-10-30-23/h3-12H,1-2H3,(H,24,27)
InChIKeyQZJPHAVPGLLNRR-UHFFFAOYSA-N
XLogP5.56
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (CID 11292926) is N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(-c5nccs5)ccc34)ccc12.
What is the InChIKey of N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is QZJPHAVPGLLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-13-21(22(27)24-2)17-6-4-15(12-20(17)28-13)29-19-7-8-25-18-11-14(3-5-16(18)19)23-26-9-10-30-23/h3-12H,1-2H3,(H,24,27).
What are the key properties of N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[7-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 11292926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).