N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

C89H72N16O6S11 — CID 157314208

IUPACN-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cnc2c(S)cccc2c1.O=C(NCCc1nccs1)c1cnc2c(S)cccc2c1.O=C(NCc1cccs1)c1cnc2c(S)cccc2c1.O=C(NCc1ccncc1)c1cnc2c(S)cccc2c1.O=C(NCc1nccs1)c1cnc2c(S)cccc2c1.O=C(Nc1nccs1)c1cnc2c(S)cccc2c1
InChIInChI=1S/C16H13N3OS.C16H14N2OS2.C15H13N3OS2.C15H12N2OS2.C14H11N3OS2.C13H9N3OS2/c20-16(19-9-11-4-6-17-7-5-11)13-8-12-2-1-3-14(21)15(12)18-10-13;19-16(17-7-6-13-4-2-8-21-13)12-9-11-3-1-5-14(20)15(11)18-10-12;19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11;18-15(17-9-12-4-2-6-20-12)11-7-10-3-1-5-13(19)14(10)16-8-11;18-14(17-8-12-15-4-5-20-12)10-6-9-2-1-3-11(19)13(9)16-7-10;17-12(16-13-14-4-5-19-13)9-6-8-2-1-3-10(18)11(8)15-7-9/h1-8,10,21H,9H2,(H,19,20);1-5,8-10,20H,6-7H2,(H,17,19);1-3,6-9,20H,4-5H2,(H,17,19);1-8,19H,9H2,(H,17,18);1-7,19H,8H2,(H,17,18);1-7,18H,(H,14,16,17)
InChIKeyBDJYLZWVMAGLOA-UHFFFAOYSA-N
MW1814.40 g/mol
LogP19.02
Rot. Bonds19

About N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 157314208) has the molecular formula C89H72N16O6S11 and a molecular weight of 1814.40 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
PubChem CID157314208
Molecular FormulaC89H72N16O6S11
Molecular Weight1814.40 g/mol
Exact Mass1812.27
IUPAC NameN-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cnc2c(S)cccc2c1.O=C(NCCc1nccs1)c1cnc2c(S)cccc2c1.O=C(NCc1cccs1)c1cnc2c(S)cccc2c1.O=C(NCc1ccncc1)c1cnc2c(S)cccc2c1.O=C(NCc1nccs1)c1cnc2c(S)cccc2c1.O=C(Nc1nccs1)c1cnc2c(S)cccc2c1
InChIInChI=1S/C16H13N3OS.C16H14N2OS2.C15H13N3OS2.C15H12N2OS2.C14H11N3OS2.C13H9N3OS2/c20-16(19-9-11-4-6-17-7-5-11)13-8-12-2-1-3-14(21)15(12)18-10-13;19-16(17-7-6-13-4-2-8-21-13)12-9-11-3-1-5-14(20)15(11)18-10-12;19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11;18-15(17-9-12-4-2-6-20-12)11-7-10-3-1-5-13(19)14(10)16-8-11;18-14(17-8-12-15-4-5-20-12)10-6-9-2-1-3-11(19)13(9)16-7-10;17-12(16-13-14-4-5-19-13)9-6-8-2-1-3-10(18)11(8)15-7-9/h1-8,10,21H,9H2,(H,19,20);1-5,8-10,20H,6-7H2,(H,17,19);1-3,6-9,20H,4-5H2,(H,17,19);1-8,19H,9H2,(H,17,18);1-7,19H,8H2,(H,17,18);1-7,18H,(H,14,16,17)
InChIKeyBDJYLZWVMAGLOA-UHFFFAOYSA-N
XLogP19.02
TPSA303.50 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms122
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.40
LogP ≤ 519.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide (CID 157314208) is N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide is O=C(NCCc1cccs1)c1cnc2c(S)cccc2c1.O=C(NCCc1nccs1)c1cnc2c(S)cccc2c1.O=C(NCc1cccs1)c1cnc2c(S)cccc2c1.O=C(NCc1ccncc1)c1cnc2c(S)cccc2c1.O=C(NCc1nccs1)c1cnc2c(S)cccc2c1.O=C(Nc1nccs1)c1cnc2c(S)cccc2c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is BDJYLZWVMAGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS.C16H14N2OS2.C15H13N3OS2.C15H12N2OS2.C14H11N3OS2.C13H9N3OS2/c20-16(19-9-11-4-6-17-7-5-11)13-8-12-2-1-3-14(21)15(12)18-10-13;19-16(17-7-6-13-4-2-8-21-13)12-9-11-3-1-5-14(20)15(11)18-10-12;19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11;18-15(17-9-12-4-2-6-20-12)11-7-10-3-1-5-13(19)14(10)16-8-11;18-14(17-8-12-15-4-5-20-12)10-6-9-2-1-3-11(19)13(9)16-7-10;17-12(16-13-14-4-5-19-13)9-6-8-2-1-3-10(18)11(8)15-7-9/h1-8,10,21H,9H2,(H,19,20);1-5,8-10,20H,6-7H2,(H,17,19);1-3,6-9,20H,4-5H2,(H,17,19);1-8,19H,9H2,(H,17,18);1-7,19H,8H2,(H,17,18);1-7,18H,(H,14,16,17).
What are the key properties of N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 1814.40 g/mol, XLogP of 19.02, 19 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 157314208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).