1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

C75H84N14O8S — CID 159897653

About 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (PubChem CID 159897653) has the molecular formula C75H84N14O8S and a molecular weight of 1341.65 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
• PubChem CID: 159897653
• Molecular Formula: C75H84N14O8S
• Molecular Weight: 1341.65 g/mol
• Exact Mass: 1340.63
• IUPAC Name: 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
• SMILES: CN(C)CCCOc1nc2ccccc2c(N2CCN(C(=O)c3ccco3)CC2)c1C#N.CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(CCC2CCCCC2)c1=O
• InChI: InChI=1S/C27H30N4O2S.2C24H27N5O3/c28-19-22-25(29-14-16-30(17-15-29)27(33)24-11-6-18-34-24)21-9-4-5-10-23(21)31(26(22)32)13-12-20-7-2-1-3-8-20;1-27(2)10-6-16-32-23-19(17-25)22(18-7-3-4-8-20(18)26-23)28-11-13-29(14-12-28)24(30)21-9-5-15-31-21;1-26(2)10-6-11-29-20-8-4-3-7-18(20)22(19(17-25)23(29)30)27-12-14-28(15-13-27)24(31)21-9-5-16-32-21/h4-6,9-11,18,20H,1-3,7-8,12-17H2;3-5,7-9,15H,6,10-14,16H2,1-2H3;3-5,7-9,16H,6,10-15H2,1-2H3
• InChIKey: NVOABJOUNMYDPS-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 240.90 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.65
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (CID 159897653) is 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.

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

The canonical SMILES for 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is CN(C)CCCOc1nc2ccccc2c(N2CCN(C(=O)c3ccco3)CC2)c1C#N.CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(CCC2CCCCC2)c1=O.

What is the InChIKey of 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?

The InChIKey is NVOABJOUNMYDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S.2C24H27N5O3/c28-19-22-25(29-14-16-30(17-15-29)27(33)24-11-6-18-34-24)21-9-4-5-10-23(21)31(26(22)32)13-12-20-7-2-1-3-8-20;1-27(2)10-6-16-32-23-19(17-25)22(18-7-3-4-8-20(18)26-23)28-11-13-29(14-12-28)24(30)21-9-5-15-31-21;1-26(2)10-6-11-29-20-8-4-3-7-18(20)22(19(17-25)23(29)30)27-12-14-28(15-13-27)24(31)21-9-5-16-32-21/h4-6,9-11,18,20H,1-3,7-8,12-17H2;3-5,7-9,15H,6,10-14,16H2,1-2H3;3-5,7-9,16H,6,10-15H2,1-2H3.

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

1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 1341.65 g/mol, XLogP of 10.24, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(furan-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 159897653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).