4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide

C128H105Cl4F5N20O24 — CID 160999443

About 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide

4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide (PubChem CID 160999443) has the molecular formula C128H105Cl4F5N20O24 and a molecular weight of 2544.17 g/mol. Its IUPAC name is 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
• PubChem CID: 160999443
• Molecular Formula: C128H105Cl4F5N20O24
• Molecular Weight: 2544.17 g/mol
• Exact Mass: 2540.63
• IUPAC Name: 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)N4CCCC4)cc3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCC(F)F)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCCN(C)C)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCCc5ccccc5)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(Nc5cccc(C(F)(F)F)c5)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O
• InChI: InChI=1S/C29H23ClN4O5.C28H18ClF3N4O5.C25H24ClN5O5.C23H17ClF2N4O5.C23H23N3O4/c1-38-24-15-22-18(14-19(24)29(31)37)23(10-12-32-22)39-17-7-8-21(20(30)13-17)34-26-25(27(35)28(26)36)33-11-9-16-5-3-2-4-6-16;1-40-22-12-20-16(11-17(22)27(33)39)21(7-8-34-20)41-15-5-6-19(18(29)10-15)36-24-23(25(37)26(24)38)35-14-4-2-3-13(9-14)28(30,31)32;1-31(2)9-8-29-21-22(24(33)23(21)32)30-17-5-4-13(10-16(17)26)36-19-6-7-28-18-12-20(35-3)15(25(27)34)11-14(18)19;1-34-17-8-15-11(7-12(17)23(27)33)16(4-5-28-15)35-10-2-3-14(13(24)6-10)30-20-19(21(31)22(20)32)29-9-18(25)26;1-29-21-14-19-17(13-18(21)23(24)28)20(8-9-25-19)30-16-6-4-15(5-7-16)12-22(27)26-10-2-3-11-26/h2-8,10,12-15,33-34H,9,11H2,1H3,(H2,31,37);2-12,35-36H,1H3,(H2,33,39);4-7,10-12,29-30H,8-9H2,1-3H3,(H2,27,34);2-8,18,29-30H,9H2,1H3,(H2,27,33);4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28)
• InChIKey: TVRCAVBASLNEHE-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 628.55 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2544.17
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?

The IUPAC name of 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide (CID 160999443) is 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide.

What is the SMILES notation for 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?

The canonical SMILES for 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)N4CCCC4)cc3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCC(F)F)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCCN(C)C)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCCc5ccccc5)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(Nc5cccc(C(F)(F)F)c5)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.

What is the InChIKey of 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?

The InChIKey is TVRCAVBASLNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O5.C28H18ClF3N4O5.C25H24ClN5O5.C23H17ClF2N4O5.C23H23N3O4/c1-38-24-15-22-18(14-19(24)29(31)37)23(10-12-32-22)39-17-7-8-21(20(30)13-17)34-26-25(27(35)28(26)36)33-11-9-16-5-3-2-4-6-16;1-40-22-12-20-16(11-17(22)27(33)39)21(7-8-34-20)41-15-5-6-19(18(29)10-15)36-24-23(25(37)26(24)38)35-14-4-2-3-13(9-14)28(30,31)32;1-31(2)9-8-29-21-22(24(33)23(21)32)30-17-5-4-13(10-16(17)26)36-19-6-7-28-18-12-20(35-3)15(25(27)34)11-14(18)19;1-34-17-8-15-11(7-12(17)23(27)33)16(4-5-28-15)35-10-2-3-14(13(24)6-10)30-20-19(21(31)22(20)32)29-9-18(25)26;1-29-21-14-19-17(13-18(21)23(24)28)20(8-9-25-19)30-16-6-4-15(5-7-16)12-22(27)26-10-2-3-11-26/h2-8,10,12-15,33-34H,9,11H2,1H3,(H2,31,37);2-12,35-36H,1H3,(H2,33,39);4-7,10-12,29-30H,8-9H2,1-3H3,(H2,27,34);2-8,18,29-30H,9H2,1H3,(H2,27,33);4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28).

What are the key properties of 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?

4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide has a molecular weight of 2544.17 g/mol, XLogP of 20.88, 43 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide is sourced from PubChem (CID 160999443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).