3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one

C79H83N15O12S2 — CID 157156812

About 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one

3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one (PubChem CID 157156812) has the molecular formula C79H83N15O12S2 and a molecular weight of 1498.76 g/mol. Its IUPAC name is 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one.

Molecular Properties

• Compound Name: 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one
• PubChem CID: 157156812
• Molecular Formula: C79H83N15O12S2
• Molecular Weight: 1498.76 g/mol
• Exact Mass: 1497.58
• IUPAC Name: 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one
• SMILES: Cn1c(=O)c(N)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21.Cn1c(=O)c(N)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.Cn1c(=O)c(N)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cn1c(=O)c(S(C)(=O)=O)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
• InChI: InChI=1S/C21H22N4O2.C20H21N3O5S.C19H20N4O3.C19H20N4O2S/c1-23-17-10-6-5-9-16(17)19(18(22)21(23)27)24-11-13-25(14-12-24)20(26)15-7-3-2-4-8-15;1-21-15-7-4-3-6-14(15)17(18(20(21)25)29(2,26)27)22-9-11-23(12-10-22)19(24)16-8-5-13-28-16;2*1-21-14-6-3-2-5-13(14)17(16(20)19(21)25)22-8-10-23(11-9-22)18(24)15-7-4-12-26-15/h2-10H,11-14,22H2,1H3;3-8,13H,9-12H2,1-2H3;2*2-7,12H,8-11,20H2,1H3
• InChIKey: ALXFIOJLTLDCIH-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 320.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.76
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one?

The IUPAC name of 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one (CID 157156812) is 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one.

What is the SMILES notation for 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one?

The canonical SMILES for 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one is Cn1c(=O)c(N)c(N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21.Cn1c(=O)c(N)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.Cn1c(=O)c(N)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cn1c(=O)c(S(C)(=O)=O)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.

What is the InChIKey of 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one?

The InChIKey is ALXFIOJLTLDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C20H21N3O5S.C19H20N4O3.C19H20N4O2S/c1-23-17-10-6-5-9-16(17)19(18(22)21(23)27)24-11-13-25(14-12-24)20(26)15-7-3-2-4-8-15;1-21-15-7-4-3-6-14(15)17(18(20(21)25)29(2,26)27)22-9-11-23(12-10-22)19(24)16-8-5-13-28-16;2*1-21-14-6-3-2-5-13(14)17(16(20)19(21)25)22-8-10-23(11-9-22)18(24)15-7-4-12-26-15/h2-10H,11-14,22H2,1H3;3-8,13H,9-12H2,1-2H3;2*2-7,12H,8-11,20H2,1H3.

What are the key properties of 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one?

3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one has a molecular weight of 1498.76 g/mol, XLogP of 7.40, 9 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(4-benzoylpiperazin-1-yl)-1-methylquinolin-2-one;3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methylquinolin-2-one;3-amino-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-methylsulfonylquinolin-2-one is sourced from PubChem (CID 157156812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).