6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide

C23H20ClN5O2S — CID 170633210

About 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide

6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 170633210) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide
• PubChem CID: 170633210
• Molecular Formula: C23H20ClN5O2S
• Molecular Weight: 465.97 g/mol
• Exact Mass: 465.10
• IUPAC Name: 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide
• SMILES: C[C@@H](c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1)c1ccc(Cl)cn1
• InChI: InChI=1S/C23H20ClN5O2S/c1-14(20-5-3-16(24)10-27-20)15-2-4-21-19(8-15)18(6-7-26-21)23(31)28-11-22(30)29-13-32-12-17(29)9-25/h2-8,10,14,17H,11-13H2,1H3,(H,28,31)/t14-,17+/m0/s1
• InChIKey: QIMYDTCOKWCDII-WMLDXEAASA-N
• XLogP: 3.59
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.97
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide?

The IUPAC name of 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide (CID 170633210) is 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide.

What is the SMILES notation for 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide?

The canonical SMILES for 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide is C[C@@H](c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1)c1ccc(Cl)cn1.

What is the InChIKey of 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide?

The InChIKey is QIMYDTCOKWCDII-WMLDXEAASA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c1-14(20-5-3-16(24)10-27-20)15-2-4-21-19(8-15)18(6-7-26-21)23(31)28-11-22(30)29-13-32-12-17(29)9-25/h2-8,10,14,17H,11-13H2,1H3,(H,28,31)/t14-,17+/m0/s1.

What are the key properties of 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide?

6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 465.97 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 170633210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).