8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane

C34H36ClF2N5O2 — CID 170095248

About 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170095248) has the molecular formula C34H36ClF2N5O2 and a molecular weight of 620.14 g/mol. Its IUPAC name is 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
• PubChem CID: 170095248
• Molecular Formula: C34H36ClF2N5O2
• Molecular Weight: 620.14 g/mol
• Exact Mass: 619.25
• IUPAC Name: 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
• SMILES: CC(COc1nc(N2CC3CCC(C2)N3)c2cc(Cl)c(-c3cccc4ccc(F)cc34)c(F)c2n1)CN1C2CCC1COC2
• InChI: InChI=1S/C34H36ClF2N5O2/c1-19(13-42-24-9-10-25(42)18-43-17-24)16-44-34-39-32-28(33(40-34)41-14-22-7-8-23(15-41)38-22)12-29(35)30(31(32)37)26-4-2-3-20-5-6-21(36)11-27(20)26/h2-6,11-12,19,22-25,38H,7-10,13-18H2,1H3
• InChIKey: UGUSHFJHCRUHSO-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 62.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.14
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?

The IUPAC name of 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 170095248) is 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane.

What is the SMILES notation for 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?

The canonical SMILES for 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane is CC(COc1nc(N2CC3CCC(C2)N3)c2cc(Cl)c(-c3cccc4ccc(F)cc34)c(F)c2n1)CN1C2CCC1COC2.

What is the InChIKey of 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?

The InChIKey is UGUSHFJHCRUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClF2N5O2/c1-19(13-42-24-9-10-25(42)18-43-17-24)16-44-34-39-32-28(33(40-34)41-14-22-7-8-23(15-41)38-22)12-29(35)30(31(32)37)26-4-2-3-20-5-6-21(36)11-27(20)26/h2-6,11-12,19,22-25,38H,7-10,13-18H2,1H3.

What are the key properties of 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?

8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 620.14 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(7-fluoronaphthalen-1-yl)quinazolin-2-yl]oxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170095248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).