6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

C20H12N4O2S — CID 118273878

IUPAC6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)Nc4nccs4)ccc3c2)cc1
InChIInChI=1S/C20H12N4O2S/c21-12-13-1-4-15(5-2-13)26-16-6-8-17-14(11-16)3-7-18(23-17)19(25)24-20-22-9-10-27-20/h1-11H,(H,22,24,25)
InChIKeyZVZVTODGPMKMOU-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.61
Rot. Bonds4

About 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 118273878) has the molecular formula C20H12N4O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID118273878
Molecular FormulaC20H12N4O2S
Molecular Weight372.41 g/mol
Exact Mass372.07
IUPAC Name6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)Nc4nccs4)ccc3c2)cc1
InChIInChI=1S/C20H12N4O2S/c21-12-13-1-4-15(5-2-13)26-16-6-8-17-14(11-16)3-7-18(23-17)19(25)24-20-22-9-10-27-20/h1-11H,(H,22,24,25)
InChIKeyZVZVTODGPMKMOU-UHFFFAOYSA-N
XLogP4.61
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 118273878) is 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)Nc4nccs4)ccc3c2)cc1.
What is the InChIKey of 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is ZVZVTODGPMKMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2S/c21-12-13-1-4-15(5-2-13)26-16-6-8-17-14(11-16)3-7-18(23-17)19(25)24-20-22-9-10-27-20/h1-11H,(H,22,24,25).
What are the key properties of 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 118273878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).