6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol

C43H54F2N4O4Si — CID 176594132

About 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol

6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol (PubChem CID 176594132) has the molecular formula C43H54F2N4O4Si and a molecular weight of 757.01 g/mol. Its IUPAC name is 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
• PubChem CID: 176594132
• Molecular Formula: C43H54F2N4O4Si
• Molecular Weight: 757.01 g/mol
• Exact Mass: 756.39
• IUPAC Name: 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
• SMILES: CC(C)[Si](C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCOCC5)nc(OCC5(CN6CCOCC6)CC5)nc4c3F)c12)(C(C)C)C(C)C
• InChI: InChI=1S/C43H54F2N4O4Si/c1-28(2)54(29(3)4,30(5)6)23-12-34-37(44)11-8-31-24-32(50)25-36(38(31)34)33-9-10-35-40(39(33)45)46-42(47-41(35)49-15-7-19-51-22-18-49)53-27-43(13-14-43)26-48-16-20-52-21-17-48/h8-11,24-25,28-30,50H,7,13-22,26-27H2,1-6H3
• InChIKey: ZPMYWEFISJOISM-UHFFFAOYSA-N
• XLogP: 8.72
• TPSA: 80.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.01
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

The IUPAC name of 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol (CID 176594132) is 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol.

What is the SMILES notation for 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

The canonical SMILES for 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol is CC(C)[Si](C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCOCC5)nc(OCC5(CN6CCOCC6)CC5)nc4c3F)c12)(C(C)C)C(C)C.

What is the InChIKey of 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

The InChIKey is ZPMYWEFISJOISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54F2N4O4Si/c1-28(2)54(29(3)4,30(5)6)23-12-34-37(44)11-8-31-24-32(50)25-36(38(31)34)33-9-10-35-40(39(33)45)46-42(47-41(35)49-15-7-19-51-22-18-49)53-27-43(13-14-43)26-48-16-20-52-21-17-48/h8-11,24-25,28-30,50H,7,13-22,26-27H2,1-6H3.

What are the key properties of 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol has a molecular weight of 757.01 g/mol, XLogP of 8.72, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-4-[8-fluoro-2-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]-4-(1,4-oxazepan-4-yl)quinazolin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol is sourced from PubChem (CID 176594132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).