6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide

C23H23N5O6S — CID 55484934

About 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide

6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide (PubChem CID 55484934) has the molecular formula C23H23N5O6S and a molecular weight of 497.53 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
• PubChem CID: 55484934
• Molecular Formula: C23H23N5O6S
• Molecular Weight: 497.53 g/mol
• Exact Mass: 497.14
• IUPAC Name: 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
• SMILES: O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
• InChI: InChI=1S/C23H23N5O6S/c29-21-14-19(22(30)25-15-1-3-16(4-2-15)28-8-7-24-23(28)31)18-13-17(5-6-20(18)26-21)35(32,33)27-9-11-34-12-10-27/h1-6,13-14H,7-12H2,(H,24,31)(H,25,30)(H,26,29)
• InChIKey: UBCFMUDMFSHYIB-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 140.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.53
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide?

The IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide (CID 55484934) is 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide.

What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide?

The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide is O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.

What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide?

The InChIKey is UBCFMUDMFSHYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O6S/c29-21-14-19(22(30)25-15-1-3-16(4-2-15)28-8-7-24-23(28)31)18-13-17(5-6-20(18)26-21)35(32,33)27-9-11-34-12-10-27/h1-6,13-14H,7-12H2,(H,24,31)(H,25,30)(H,26,29).

What are the key properties of 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide?

6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55484934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).