4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol

C38H43F2N5O3 — CID 174184007

About 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol

4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol (PubChem CID 174184007) has the molecular formula C38H43F2N5O3 and a molecular weight of 655.79 g/mol. Its IUPAC name is 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
• PubChem CID: 174184007
• Molecular Formula: C38H43F2N5O3
• Molecular Weight: 655.79 g/mol
• Exact Mass: 655.33
• IUPAC Name: 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CC6CCC(C5)N6)nc(OCC5(CN6CCC7(CC6)COC7)CC5)nc4c3F)c12
• InChI: InChI=1S/C38H43F2N5O3/c1-2-27-31(39)8-3-23-15-26(46)16-30(32(23)27)28-6-7-29-34(33(28)40)42-36(43-35(29)45-17-24-4-5-25(18-45)41-24)48-22-37(9-10-37)19-44-13-11-38(12-14-44)20-47-21-38/h3,6-8,15-16,24-25,41,46H,2,4-5,9-14,17-22H2,1H3
• InChIKey: IUQWHJYTOSMDQG-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 82.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.79
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?

The IUPAC name of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol (CID 174184007) is 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol.

What is the SMILES notation for 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?

The canonical SMILES for 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol is CCc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CC6CCC(C5)N6)nc(OCC5(CN6CCC7(CC6)COC7)CC5)nc4c3F)c12.

What is the InChIKey of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?

The InChIKey is IUQWHJYTOSMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43F2N5O3/c1-2-27-31(39)8-3-23-15-26(46)16-30(32(23)27)28-6-7-29-34(33(28)40)42-36(43-35(29)45-17-24-4-5-25(18-45)41-24)48-22-37(9-10-37)19-44-13-11-38(12-14-44)20-47-21-38/h3,6-8,15-16,24-25,41,46H,2,4-5,9-14,17-22H2,1H3.

What are the key properties of 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?

4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol has a molecular weight of 655.79 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 174184007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).