N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

C24H26N4O6S — CID 55671311

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55671311) has the molecular formula C24H26N4O6S and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
• PubChem CID: 55671311
• Molecular Formula: C24H26N4O6S
• Molecular Weight: 498.56 g/mol
• Exact Mass: 498.16
• IUPAC Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
• SMILES: CC(=O)N(C)Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1
• InChI: InChI=1S/C24H26N4O6S/c1-16(29)27(2)15-17-4-3-5-18(12-17)25-24(31)21-14-23(30)26-22-7-6-19(13-20(21)22)35(32,33)28-8-10-34-11-9-28/h3-7,12-14H,8-11,15H2,1-2H3,(H,25,31)(H,26,30)
• InChIKey: HQGPMYAMKULBJH-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 128.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.56
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?

The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 55671311) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?

The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1.

What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?

The InChIKey is HQGPMYAMKULBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6S/c1-16(29)27(2)15-17-4-3-5-18(12-17)25-24(31)21-14-23(30)26-22-7-6-19(13-20(21)22)35(32,33)28-8-10-34-11-9-28/h3-7,12-14H,8-11,15H2,1-2H3,(H,25,31)(H,26,30).

What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55671311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).