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

C21H23N5O3S — CID 164532977

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

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 164532977) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide
• PubChem CID: 164532977
• Molecular Formula: C21H23N5O3S
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.15
• IUPAC Name: N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide
• SMILES: Cc1cc(C(=O)NCC(=O)N2CSC[C@H]2C#N)c2cc(N3CCOCC3)ccc2n1
• InChI: InChI=1S/C21H23N5O3S/c1-14-8-18(21(28)23-11-20(27)26-13-30-12-16(26)10-22)17-9-15(2-3-19(17)24-14)25-4-6-29-7-5-25/h2-3,8-9,16H,4-7,11-13H2,1H3,(H,23,28)/t16-/m1/s1
• InChIKey: PUPCMBWFMRGYRE-MRXNPFEDSA-N
• XLogP: 1.53
• 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	425.51
LogP ≤ 5	1.53
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]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide?

The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide (CID 164532977) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide.

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

The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(=O)N2CSC[C@H]2C#N)c2cc(N3CCOCC3)ccc2n1.

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

The InChIKey is PUPCMBWFMRGYRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-14-8-18(21(28)23-11-20(27)26-13-30-12-16(26)10-22)17-9-15(2-3-19(17)24-14)25-4-6-29-7-5-25/h2-3,8-9,16H,4-7,11-13H2,1H3,(H,23,28)/t16-/m1/s1.

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

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 1.53, 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]-2-methyl-6-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 164532977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).