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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide

C79H84N16O12S2 — CID 157341581

IUPAC3-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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide
SMILESCn1c(=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(NS(C)(=O)=O)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C21H22N4O2.C20H22N4O5S.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;1-22-15-7-4-3-6-14(15)18(17(20(22)26)21-30(2,27)28)23-9-11-24(12-10-23)19(25)16-8-5-13-29-16;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;3-8,13,21H,9-12H2,1-2H3;2*2-7,12H,8-11,20H2,1H3
InChIKeyBGLPLZBWEIISIM-UHFFFAOYSA-N
MW1513.77 g/mol
LogP7.37
Rot. Bonds10

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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide

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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide (PubChem CID 157341581) has the molecular formula C79H84N16O12S2 and a molecular weight of 1513.77 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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name3-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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide
PubChem CID157341581
Molecular FormulaC79H84N16O12S2
Molecular Weight1513.77 g/mol
Exact Mass1512.59
IUPAC Name3-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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide
SMILESCn1c(=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(NS(C)(=O)=O)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C21H22N4O2.C20H22N4O5S.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;1-22-15-7-4-3-6-14(15)18(17(20(22)26)21-30(2,27)28)23-9-11-24(12-10-23)19(25)16-8-5-13-29-16;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;3-8,13,21H,9-12H2,1-2H3;2*2-7,12H,8-11,20H2,1H3
InChIKeyBGLPLZBWEIISIM-UHFFFAOYSA-N
XLogP7.37
TPSA332.71 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.77
LogP ≤ 57.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide with MolForge

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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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide?
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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide (CID 157341581) 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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide.
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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide?
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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide 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(NS(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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide?
The InChIKey is BGLPLZBWEIISIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C20H22N4O5S.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;1-22-15-7-4-3-6-14(15)18(17(20(22)26)21-30(2,27)28)23-9-11-24(12-10-23)19(25)16-8-5-13-29-16;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;3-8,13,21H,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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide?
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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide has a molecular weight of 1513.77 g/mol, XLogP of 7.37, 10 rotatable bonds, 4 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;N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinolin-3-yl]methanesulfonamide is sourced from PubChem (CID 157341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).