N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide

C26H25N5O2S — CID 164533038

About N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide

N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide (PubChem CID 164533038) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide
• PubChem CID: 164533038
• Molecular Formula: C26H25N5O2S
• Molecular Weight: 471.59 g/mol
• Exact Mass: 471.17
• IUPAC Name: N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide
• SMILES: Cc1cccc(C2CN(c3ccc4nccc(C(=O)NCC(=O)N5CSCC5C#N)c4c3)C2)c1
• InChI: InChI=1S/C26H25N5O2S/c1-17-3-2-4-18(9-17)19-13-30(14-19)20-5-6-24-23(10-20)22(7-8-28-24)26(33)29-12-25(32)31-16-34-15-21(31)11-27/h2-10,19,21H,12-16H2,1H3,(H,29,33)
• InChIKey: SZDICRGIABOEDK-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 89.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.59
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide?

The IUPAC name of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide (CID 164533038) is N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide.

What is the SMILES notation for N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide?

The canonical SMILES for N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide is Cc1cccc(C2CN(c3ccc4nccc(C(=O)NCC(=O)N5CSCC5C#N)c4c3)C2)c1.

What is the InChIKey of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide?

The InChIKey is SZDICRGIABOEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-3-2-4-18(9-17)19-13-30(14-19)20-5-6-24-23(10-20)22(7-8-28-24)26(33)29-12-25(32)31-16-34-15-21(31)11-27/h2-10,19,21H,12-16H2,1H3,(H,29,33).

What are the key properties of N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide?

N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 164533038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).