4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-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-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide

C145H113Cl4F5N24O27 — CID 157304721

About 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-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-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide (PubChem CID 157304721) has the molecular formula C145H113Cl4F5N24O27 and a molecular weight of 2860.44 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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
• PubChem CID: 157304721
• Molecular Formula: C145H113Cl4F5N24O27
• Molecular Weight: 2860.44 g/mol
• Exact Mass: 2856.69
• 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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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)F)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCC(F)F)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(NCc5ccncc5)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4[nH]cc(C#N)c4c3)c2cc1C(N)=O
• InChI: InChI=1S/C29H23ClN4O5.C27H20ClN5O5.C23H16ClF3N4O5.C23H17ClF2N4O5.C23H23N3O4.C20H14N4O3/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;1-37-22-12-20-16(11-17(22)27(29)36)21(6-9-31-20)38-15-2-3-19(18(28)10-15)33-24-23(25(34)26(24)35)32-13-14-4-7-30-8-5-14;1-35-17-8-15-11(7-12(17)22(28)34)16(4-5-29-15)36-10-2-3-14(13(24)6-10)31-19-18(20(32)21(19)33)30-9-23(25,26)27;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;1-26-19-8-17-14(7-15(19)20(22)25)18(4-5-23-17)27-12-2-3-16-13(6-12)11(9-21)10-24-16/h2-8,10,12-15,33-34H,9,11H2,1H3,(H2,31,37);2-12,32-33H,13H2,1H3,(H2,29,36);2-8,30-31H,9H2,1H3,(H2,28,34);2-8,18,29-30H,9H2,1H3,(H2,27,33);4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28);2-8,10,24H,1H3,(H2,22,25)
• InChIKey: BCHZBACRBLCLCX-UHFFFAOYSA-N
• XLogP: 23.61
• TPSA: 752.22 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 46
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2860.44
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide (CID 157304721) is 4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-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-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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)F)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(Nc4c(NCC(F)F)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(NCc5ccncc5)c(=O)c4=O)c(Cl)c3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc4[nH]cc(C#N)c4c3)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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?

The InChIKey is BCHZBACRBLCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O5.C27H20ClN5O5.C23H16ClF3N4O5.C23H17ClF2N4O5.C23H23N3O4.C20H14N4O3/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;1-37-22-12-20-16(11-17(22)27(29)36)21(6-9-31-20)38-15-2-3-19(18(28)10-15)33-24-23(25(34)26(24)35)32-13-14-4-7-30-8-5-14;1-35-17-8-15-11(7-12(17)22(28)34)16(4-5-29-15)36-10-2-3-14(13(24)6-10)31-19-18(20(32)21(19)33)30-9-23(25,26)27;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;1-26-19-8-17-14(7-15(19)20(22)25)18(4-5-23-17)27-12-2-3-16-13(6-12)11(9-21)10-24-16/h2-8,10,12-15,33-34H,9,11H2,1H3,(H2,31,37);2-12,32-33H,13H2,1H3,(H2,29,36);2-8,30-31H,9H2,1H3,(H2,28,34);2-8,18,29-30H,9H2,1H3,(H2,27,33);4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28);2-8,10,24H,1H3,(H2,22,25).

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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide has a molecular weight of 2860.44 g/mol, XLogP of 23.61, 46 rotatable bonds, 15 hydrogen bond donors, and 43 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-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-4-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2,2,2-trifluoroethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[(3-cyano-1H-indol-5-yl)oxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide is sourced from PubChem (CID 157304721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).