5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol

C67H64F6N8O6 — CID 170956956

About 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol

5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol (PubChem CID 170956956) has the molecular formula C67H64F6N8O6 and a molecular weight of 1191.29 g/mol. Its IUPAC name is 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol
• PubChem CID: 170956956
• Molecular Formula: C67H64F6N8O6
• Molecular Weight: 1191.29 g/mol
• Exact Mass: 1190.49
• IUPAC Name: 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol
• SMILES: C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCC(O)CC5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12.C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCC(OC)CC5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12
• InChI: InChI=1S/C34H33F3N4O3.C33H31F3N4O3/c1-3-24-28(36)8-5-20-15-22(42)16-27(29(20)24)25-6-7-26-31(30(25)37)38-33(39-32(26)40-13-9-23(43-2)10-14-40)44-19-34-11-4-12-41(34)18-21(35)17-34;1-2-23-27(35)7-4-19-14-22(42)15-26(28(19)23)24-5-6-25-30(29(24)36)37-32(38-31(25)39-12-8-21(41)9-13-39)43-18-33-10-3-11-40(33)17-20(34)16-33/h1,5-8,15-16,21,23,42H,4,9-14,17-19H2,2H3;1,4-7,14-15,20-21,41-42H,3,8-13,16-18H2
• InChIKey: KYTMRHOCZXKLQN-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 152.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.29
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol?

The IUPAC name of 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol (CID 170956956) is 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol.

What is the SMILES notation for 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol?

The canonical SMILES for 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol is C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCC(O)CC5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12.C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCC(OC)CC5)nc(OCC56CCCN5CC(F)C6)nc4c3F)c12.

What is the InChIKey of 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol?

The InChIKey is KYTMRHOCZXKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N4O3.C33H31F3N4O3/c1-3-24-28(36)8-5-20-15-22(42)16-27(29(20)24)25-6-7-26-31(30(25)37)38-33(39-32(26)40-13-9-23(43-2)10-14-40)44-19-34-11-4-12-41(34)18-21(35)17-34;1-2-23-27(35)7-4-19-14-22(42)15-26(28(19)23)24-5-6-25-30(29(24)36)37-32(38-31(25)39-12-8-21(41)9-13-39)43-18-33-10-3-11-40(33)17-20(34)16-33/h1,5-8,15-16,21,23,42H,4,9-14,17-19H2,2H3;1,4-7,14-15,20-21,41-42H,3,8-13,16-18H2.

What are the key properties of 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol?

5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol has a molecular weight of 1191.29 g/mol, XLogP of 11.32, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethynyl-6-fluoro-4-[8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-4-(4-methoxypiperidin-1-yl)quinazolin-7-yl]naphthalen-2-ol;1-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-4-yl]piperidin-4-ol is sourced from PubChem (CID 170956956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).