ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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

C84H82N10O13S2 — CID 160944122

IUPACethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(Cc2ccc(OC)cc2)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
InChIInChI=1S/C32H29N3O4S.C29H29N3O5S.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;1-3-37-29(35)25-26(30-14-16-31(17-15-30)27(33)24-9-6-18-38-24)22-7-4-5-8-23(22)32(28(25)34)19-20-10-12-21(36-2)13-11-20;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;4-13,18H,3,14-17,19H2,1-2H3;4-11H,3,12-15H2,1-2H3
InChIKeySUWSMYZYXZDIBL-UHFFFAOYSA-N
MW1503.77 g/mol
LogP11.74
Rot. Bonds17

About ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 160944122) has the molecular formula C84H82N10O13S2 and a molecular weight of 1503.77 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 Nameethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 CID160944122
Molecular FormulaC84H82N10O13S2
Molecular Weight1503.77 g/mol
Exact Mass1502.55
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(Cc2ccc(OC)cc2)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
InChIInChI=1S/C32H29N3O4S.C29H29N3O5S.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;1-3-37-29(35)25-26(30-14-16-31(17-15-30)27(33)24-9-6-18-38-24)22-7-4-5-8-23(22)32(28(25)34)19-20-10-12-21(36-2)13-11-20;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;4-13,18H,3,14-17,19H2,1-2H3;4-11H,3,12-15H2,1-2H3
InChIKeySUWSMYZYXZDIBL-UHFFFAOYSA-N
XLogP11.74
TPSA237.67 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.77
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate
CID 157958718
Ethyl 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 158201154
Ethyl 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 158415052
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
Ethyl 1-(2-cyclohexylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162184659

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 160944122) is ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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)c3cccs3)CC2)c2ccccc2n(Cc2ccc(OC)cc2)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 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 SUWSMYZYXZDIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O4S.C29H29N3O5S.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;1-3-37-29(35)25-26(30-14-16-31(17-15-30)27(33)24-9-6-18-38-24)22-7-4-5-8-23(22)32(28(25)34)19-20-10-12-21(36-2)13-11-20;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;4-13,18H,3,14-17,19H2,1-2H3;4-11H,3,12-15H2,1-2H3.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 1503.77 g/mol, XLogP of 11.74, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-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 160944122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).