ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate

C81H98ClFN12O14 — CID 157264454

IUPACethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc(C)ccc2n(CCCN(C)C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n(CCCN(C)C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc2n(CCN(C)C)c1=O
InChIInChI=1S/C29H35FN4O4.C27H34N4O5.C25H29ClN4O5/c1-5-38-29(37)25-26(32-15-17-33(18-16-32)27(35)21-8-10-22(30)11-9-21)23-19-20(2)7-12-24(23)34(28(25)36)14-6-13-31(3)4;1-5-35-27(34)23-24(29-13-15-30(16-14-29)25(32)22-8-6-17-36-22)20-18-19(2)9-10-21(20)31(26(23)33)12-7-11-28(3)4;1-4-34-25(33)21-22(28-10-12-29(13-11-28)23(31)20-6-5-15-35-20)18-16-17(26)7-8-19(18)30(24(21)32)14-9-27(2)3/h7-12,19H,5-6,13-18H2,1-4H3;6,8-10,17-18H,5,7,11-16H2,1-4H3;5-8,15-16H,4,9-14H2,1-3H3
InChIKeyAXVKWPREVDKXNC-UHFFFAOYSA-N
MW1518.20 g/mol
LogP9.48
Rot. Bonds23

About ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate

ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 157264454) has the molecular formula C81H98ClFN12O14 and a molecular weight of 1518.20 g/mol. Its IUPAC name is ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
PubChem CID157264454
Molecular FormulaC81H98ClFN12O14
Molecular Weight1518.20 g/mol
Exact Mass1516.70
IUPAC Nameethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc(C)ccc2n(CCCN(C)C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n(CCCN(C)C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc2n(CCN(C)C)c1=O
InChIInChI=1S/C29H35FN4O4.C27H34N4O5.C25H29ClN4O5/c1-5-38-29(37)25-26(32-15-17-33(18-16-32)27(35)21-8-10-22(30)11-9-21)23-19-20(2)7-12-24(23)34(28(25)36)14-6-13-31(3)4;1-5-35-27(34)23-24(29-13-15-30(16-14-29)25(32)22-8-6-17-36-22)20-18-19(2)9-10-21(20)31(26(23)33)12-7-11-28(3)4;1-4-34-25(33)21-22(28-10-12-29(13-11-28)23(31)20-6-5-15-35-20)18-16-17(26)7-8-19(18)30(24(21)32)14-9-27(2)3/h7-12,19H,5-6,13-18H2,1-4H3;6,8-10,17-18H,5,7,11-16H2,1-4H3;5-8,15-16H,4,9-14H2,1-3H3
InChIKeyAXVKWPREVDKXNC-UHFFFAOYSA-N
XLogP9.48
TPSA251.55 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.20
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate (CID 157264454) is ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc(C)ccc2n(CCCN(C)C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n(CCCN(C)C)c1=O.CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc2n(CCN(C)C)c1=O.
What is the InChIKey of ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is AXVKWPREVDKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O4.C27H34N4O5.C25H29ClN4O5/c1-5-38-29(37)25-26(32-15-17-33(18-16-32)27(35)21-8-10-22(30)11-9-21)23-19-20(2)7-12-24(23)34(28(25)36)14-6-13-31(3)4;1-5-35-27(34)23-24(29-13-15-30(16-14-29)25(32)22-8-6-17-36-22)20-18-19(2)9-10-21(20)31(26(23)33)12-7-11-28(3)4;1-4-34-25(33)21-22(28-10-12-29(13-11-28)23(31)20-6-5-15-35-20)18-16-17(26)7-8-19(18)30(24(21)32)14-9-27(2)3/h7-12,19H,5-6,13-18H2,1-4H3;6,8-10,17-18H,5,7,11-16H2,1-4H3;5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 1518.20 g/mol, XLogP of 9.48, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 157264454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).