4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol

C33H34ClF2N5O2 — CID 165123891

About 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol (PubChem CID 165123891) has the molecular formula C33H34ClF2N5O2 and a molecular weight of 606.12 g/mol. Its IUPAC name is 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 165123891
• Molecular Formula: C33H34ClF2N5O2
• Molecular Weight: 606.12 g/mol
• Exact Mass: 605.24
• IUPAC Name: 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol
• SMILES: Cc1c(-c2cc(O)cc3ccccc23)c(Cl)cc2c(N3CC4CCC(C3)N4)nc(OCC34CC(F)CN3C[C@H](F)C4)nc12
• InChI: InChI=1S/C33H34ClF2N5O2/c1-18-29(26-9-24(42)8-19-4-2-3-5-25(19)26)28(34)10-27-30(18)38-32(39-31(27)40-15-22-6-7-23(16-40)37-22)43-17-33-11-20(35)13-41(33)14-21(36)12-33/h2-5,8-10,20-23,37,42H,6-7,11-17H2,1H3/t20-,21?,22?,23?,33?/m1/s1
• InChIKey: TZNGXQHACXPWEN-JJHFNXCFSA-N
• XLogP: 5.96
• TPSA: 73.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.12
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol (CID 165123891) is 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol is Cc1c(-c2cc(O)cc3ccccc23)c(Cl)cc2c(N3CC4CCC(C3)N4)nc(OCC34CC(F)CN3C[C@H](F)C4)nc12.

What is the InChIKey of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol?

The InChIKey is TZNGXQHACXPWEN-JJHFNXCFSA-N. The full InChI is InChI=1S/C33H34ClF2N5O2/c1-18-29(26-9-24(42)8-19-4-2-3-5-25(19)26)28(34)10-27-30(18)38-32(39-31(27)40-15-22-6-7-23(16-40)37-22)43-17-33-11-20(35)13-41(33)14-21(36)12-33/h2-5,8-10,20-23,37,42H,6-7,11-17H2,1H3/t20-,21?,22?,23?,33?/m1/s1.

What are the key properties of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol?

4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol has a molecular weight of 606.12 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(6R)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methylquinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 165123891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).