ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate

C81H79N11O12S — CID 159589479

About ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate

ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate (PubChem CID 159589479) has the molecular formula C81H79N11O12S and a molecular weight of 1430.65 g/mol. Its IUPAC name is ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
• PubChem CID: 159589479
• Molecular Formula: C81H79N11O12S
• Molecular Weight: 1430.65 g/mol
• Exact Mass: 1429.56
• IUPAC Name: ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
• SMILES: CCOC(=O)c1c(N2CCN(C(=O)C3=Nc4ccccc4C3)CC2)c2ccccc2n(C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(Cc2ccc3ccccc3c2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccncc3)CC2)c2ccccc2n(C)c1=O
• InChI: InChI=1S/C32H29N3O4S.C26H26N4O4.C23H24N4O4/c1-2-39-32(38)28-29(33-15-17-34(18-16-33)30(36)27-12-7-19-40-27)25-10-5-6-11-26(25)35(31(28)37)21-22-13-14-23-8-3-4-9-24(23)20-22;1-3-34-26(33)22-23(18-9-5-7-11-21(18)28(2)25(22)32)29-12-14-30(15-13-29)24(31)20-16-17-8-4-6-10-19(17)27-20;1-3-31-23(30)19-20(17-6-4-5-7-18(17)25(2)22(19)29)26-12-14-27(15-13-26)21(28)16-8-10-24-11-9-16/h3-14,19-20H,2,15-18,21H2,1H3;4-11H,3,12-16H2,1-2H3;4-11H,3,12-15H2,1-2H3
• InChIKey: MKAZVTSVYKNOHB-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 240.80 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1430.65
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

The IUPAC name of ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate (CID 159589479) is ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate.

What is the SMILES notation for ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

The canonical SMILES for ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1c(N2CCN(C(=O)C3=Nc4ccccc4C3)CC2)c2ccccc2n(C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(Cc2ccc3ccccc3c2)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccncc3)CC2)c2ccccc2n(C)c1=O.

What is the InChIKey of ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

The InChIKey is MKAZVTSVYKNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O4S.C26H26N4O4.C23H24N4O4/c1-2-39-32(38)28-29(33-15-17-34(18-16-33)30(36)27-12-7-19-40-27)25-10-5-6-11-26(25)35(31(28)37)21-22-13-14-23-8-3-4-9-24(23)20-22;1-3-34-26(33)22-23(18-9-5-7-11-21(18)28(2)25(22)32)29-12-14-30(15-13-29)24(31)20-16-17-8-4-6-10-19(17)27-20;1-3-31-23(30)19-20(17-6-4-5-7-18(17)25(2)22(19)29)26-12-14-27(15-13-26)21(28)16-8-10-24-11-9-16/h3-14,19-20H,2,15-18,21H2,1H3;4-11H,3,12-16H2,1-2H3;4-11H,3,12-15H2,1-2H3.

What are the key properties of ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate?

ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate has a molecular weight of 1430.65 g/mol, XLogP of 10.17, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[4-(3H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-(naphthalen-2-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 159589479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).