4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol

C34H37ClFN5O3 — CID 167292770

About 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol (PubChem CID 167292770) has the molecular formula C34H37ClFN5O3 and a molecular weight of 618.15 g/mol. Its IUPAC name is 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 167292770
• Molecular Formula: C34H37ClFN5O3
• Molecular Weight: 618.15 g/mol
• Exact Mass: 617.26
• IUPAC Name: 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol
• SMILES: COC12CCNCC(C1)N(c1nc(OCC34CCCN3CCC4)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2
• InChI: InChI=1S/C34H37ClFN5O3/c1-43-34-10-11-37-18-22(17-34)41(19-34)31-26-16-27(35)28(25-15-23(42)14-21-6-2-3-7-24(21)25)29(36)30(26)38-32(39-31)44-20-33-8-4-12-40(33)13-5-9-33/h2-3,6-7,14-16,22,37,42H,4-5,8-13,17-20H2,1H3
• InChIKey: RQGAMTHJLSDVAQ-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 82.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.15
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol (CID 167292770) is 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol is COC12CCNCC(C1)N(c1nc(OCC34CCCN3CCC4)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2.

What is the InChIKey of 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?

The InChIKey is RQGAMTHJLSDVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClFN5O3/c1-43-34-10-11-37-18-22(17-34)41(19-34)31-26-16-27(35)28(25-15-23(42)14-21-6-2-3-7-24(21)25)29(36)30(26)38-32(39-31)44-20-33-8-4-12-40(33)13-5-9-33/h2-3,6-7,14-16,22,37,42H,4-5,8-13,17-20H2,1H3.

What are the key properties of 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?

4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 618.15 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(6-methoxy-3,8-diazabicyclo[4.2.1]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 167292770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).