N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide

C20H20FN5O3S — CID 164532782

About N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 164532782) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide
• PubChem CID: 164532782
• Molecular Formula: C20H20FN5O3S
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.13
• IUPAC Name: N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide
• SMILES: N#C[C@@H]1CSCN1C(=O)CNC(=O)c1c(F)cnc2ccc(N3CCOCC3)cc12
• InChI: InChI=1S/C20H20FN5O3S/c21-16-9-23-17-2-1-13(25-3-5-29-6-4-25)7-15(17)19(16)20(28)24-10-18(27)26-12-30-11-14(26)8-22/h1-2,7,9,14H,3-6,10-12H2,(H,24,28)/t14-/m1/s1
• InChIKey: RPGJKUDBWBBRJH-CQSZACIVSA-N
• XLogP: 1.37
• TPSA: 98.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide?

The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide (CID 164532782) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide.

What is the SMILES notation for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide?

The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide is N#C[C@@H]1CSCN1C(=O)CNC(=O)c1c(F)cnc2ccc(N3CCOCC3)cc12.

What is the InChIKey of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide?

The InChIKey is RPGJKUDBWBBRJH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c21-16-9-23-17-2-1-13(25-3-5-29-6-4-25)7-15(17)19(16)20(28)24-10-18(27)26-12-30-11-14(26)8-22/h1-2,7,9,14H,3-6,10-12H2,(H,24,28)/t14-/m1/s1.

What are the key properties of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide?

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-3-fluoro-6-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 164532782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).