6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile

C73H67ClFN13O8S — CID 162208563

About 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile

6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile (PubChem CID 162208563) has the molecular formula C73H67ClFN13O8S and a molecular weight of 1340.94 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile
• PubChem CID: 162208563
• Molecular Formula: C73H67ClFN13O8S
• Molecular Weight: 1340.94 g/mol
• Exact Mass: 1339.46
• IUPAC Name: 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile
• SMILES: CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cc(Cl)ccc21.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(=O)c2ccccc2)c1=O
• InChI: InChI=1S/C27H22N4O4.C26H28FN5O2.C20H17ClN4O2S/c28-17-21-25(29-12-14-30(15-13-29)27(34)24-11-6-16-35-24)20-9-4-5-10-22(20)31(26(21)33)18-23(32)19-7-2-1-3-8-19;1-29(2)12-5-13-32-23-7-4-3-6-21(23)24(22(18-28)26(32)34)30-14-16-31(17-15-30)25(33)19-8-10-20(27)11-9-19;1-23-16-5-4-13(21)11-14(16)18(15(12-22)19(23)26)24-6-8-25(9-7-24)20(27)17-3-2-10-28-17/h1-11,16H,12-15,18H2;3-4,6-11H,5,12-17H2,1-2H3;2-5,10-11H,6-9H2,1H3
• InChIKey: ZSNMDNPUDMVNGA-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 241.47 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.94
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile?

The IUPAC name of 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile (CID 162208563) is 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile.

What is the SMILES notation for 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile?

The canonical SMILES for 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile is CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cc(Cl)ccc21.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CC(=O)c2ccccc2)c1=O.

What is the InChIKey of 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile?

The InChIKey is ZSNMDNPUDMVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4.C26H28FN5O2.C20H17ClN4O2S/c28-17-21-25(29-12-14-30(15-13-29)27(34)24-11-6-16-35-24)20-9-4-5-10-22(20)31(26(21)33)18-23(32)19-7-2-1-3-8-19;1-29(2)12-5-13-32-23-7-4-3-6-21(23)24(22(18-28)26(32)34)30-14-16-31(17-15-30)25(33)19-8-10-20(27)11-9-19;1-23-16-5-4-13(21)11-14(16)18(15(12-22)19(23)26)24-6-8-25(9-7-24)20(27)17-3-2-10-28-17/h1-11,16H,12-15,18H2;3-4,6-11H,5,12-17H2,1-2H3;2-5,10-11H,6-9H2,1H3.

What are the key properties of 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile?

6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile has a molecular weight of 1340.94 g/mol, XLogP of 9.33, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile is sourced from PubChem (CID 162208563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).