1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide

C104H103F2N11O17 — CID 157351701

About 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide

1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide (PubChem CID 157351701) has the molecular formula C104H103F2N11O17 and a molecular weight of 1817.02 g/mol. Its IUPAC name is 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 157351701
• Molecular Formula: C104H103F2N11O17
• Molecular Weight: 1817.02 g/mol
• Exact Mass: 1815.75
• IUPAC Name: 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccnc2cc1OCC1OCCCC12CC2.Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Oc4ccnc5cc(OCC6OCCCC67CC7)ccc45)cn3)CC2)cc1.O=C(Nc1ccccc1)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(O)CN5CC(O)C6(CC6)C5)ccc34)c(F)c2)CC1
• InChI: InChI=1S/C35H35FN4O6.C35H34FN3O6.C34H34N4O5/c36-27-16-23(39-33(44)35(13-14-35)32(43)38-22-4-2-1-3-5-22)6-9-30(27)46-29-10-15-37-28-17-25(7-8-26(28)29)45-20-24(41)18-40-19-31(42)34(21-40)11-12-34;1-42-29-19-24-26(20-30(29)44-21-31-34(12-13-34)11-5-17-43-31)37-16-10-27(24)45-28-9-8-23(18-25(28)36)39-33(41)35(14-15-35)32(40)38-22-6-3-2-4-7-22;1-22-3-5-23(6-4-22)37-31(39)34(15-16-34)32(40)38-30-10-8-25(20-36-30)43-28-11-17-35-27-19-24(7-9-26(27)28)42-21-29-33(13-14-33)12-2-18-41-29/h1-10,15-17,24,31,41-42H,11-14,18-21H2,(H,38,43)(H,39,44);2-4,6-10,16,18-20,31H,5,11-15,17,21H2,1H3,(H,38,40)(H,39,41);3-11,17,19-20,29H,2,12-16,18,21H2,1H3,(H,37,39)(H,36,38,40)
• InChIKey: BHPOEVUMNLBJTD-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 352.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1817.02
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide (CID 157351701) is 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide is COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3F)ccnc2cc1OCC1OCCCC12CC2.Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Oc4ccnc5cc(OCC6OCCCC67CC7)ccc45)cn3)CC2)cc1.O=C(Nc1ccccc1)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(O)CN5CC(O)C6(CC6)C5)ccc34)c(F)c2)CC1.

What is the InChIKey of 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is BHPOEVUMNLBJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN4O6.C35H34FN3O6.C34H34N4O5/c36-27-16-23(39-33(44)35(13-14-35)32(43)38-22-4-2-1-3-5-22)6-9-30(27)46-29-10-15-37-28-17-25(7-8-26(28)29)45-20-24(41)18-40-19-31(42)34(21-40)11-12-34;1-42-29-19-24-26(20-30(29)44-21-31-34(12-13-34)11-5-17-43-31)37-16-10-27(24)45-28-9-8-23(18-25(28)36)39-33(41)35(14-15-35)32(40)38-22-6-3-2-4-7-22;1-22-3-5-23(6-4-22)37-31(39)34(15-16-34)32(40)38-30-10-8-25(20-36-30)43-28-11-17-35-27-19-24(7-9-26(27)28)42-21-29-33(13-14-33)12-2-18-41-29/h1-10,15-17,24,31,41-42H,11-14,18-21H2,(H,38,43)(H,39,44);2-4,6-10,16,18-20,31H,5,11-15,17,21H2,1H3,(H,38,40)(H,39,41);3-11,17,19-20,29H,2,12-16,18,21H2,1H3,(H,37,39)(H,36,38,40).

What are the key properties of 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide?

1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 1817.02 g/mol, XLogP of 18.02, 30 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[3-fluoro-4-[7-[2-hydroxy-3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N'-[3-fluoro-4-[6-methoxy-7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide;1-N-(4-methylphenyl)-1-N'-[5-[7-(5-oxaspiro[2.5]octan-4-ylmethoxy)quinolin-4-yl]oxy-2-pyridinyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 157351701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).