4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one

C25H28N4O5S — CID 46361733

About 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 46361733) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

• Compound Name: 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
• PubChem CID: 46361733
• Molecular Formula: C25H28N4O5S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.18
• IUPAC Name: 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
• SMILES: CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CC(=O)Nc5ccccc54)CC3)ccc21
• InChI: InChI=1S/C25H28N4O5S/c1-17(30)28-12-4-5-19-15-20(8-9-22(19)28)35(33,34)27-13-10-18(11-14-27)25(32)29-16-24(31)26-21-6-2-3-7-23(21)29/h2-3,6-9,15,18H,4-5,10-14,16H2,1H3,(H,26,31)
• InChIKey: MRXCSXCSJGECJD-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?

The IUPAC name of 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 46361733) is 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.

What is the SMILES notation for 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?

The canonical SMILES for 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CC(=O)Nc5ccccc54)CC3)ccc21.

What is the InChIKey of 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?

The InChIKey is MRXCSXCSJGECJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-17(30)28-12-4-5-19-15-20(8-9-22(19)28)35(33,34)27-13-10-18(11-14-27)25(32)29-16-24(31)26-21-6-2-3-7-23(21)29/h2-3,6-9,15,18H,4-5,10-14,16H2,1H3,(H,26,31).

What are the key properties of 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?

4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 496.59 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 46361733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).