4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline

C37H41F2N5O — CID 170089691

IUPAC4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline
SMILESCCc1c(F)ccc2cc(N=O)cc(-c3ccc4c(N5CCCC6(CCC6)C5)nc(CCC56CCCN5CCC6)nc4c3F)c12
InChIInChI=1S/C37H41F2N5O/c1-2-26-30(38)10-7-24-21-25(42-45)22-29(32(24)26)27-8-9-28-34(33(27)39)40-31(11-17-37-15-5-19-44(37)20-6-16-37)41-35(28)43-18-4-14-36(23-43)12-3-13-36/h7-10,21-22H,2-6,11-20,23H2,1H3
InChIKeyOKAXMPYTLFDZRS-UHFFFAOYSA-N
MW609.77 g/mol
LogP9.02
Rot. Bonds7

About 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline

4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline (PubChem CID 170089691) has the molecular formula C37H41F2N5O and a molecular weight of 609.77 g/mol. Its IUPAC name is 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline.

Molecular Properties

Compound Name4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline
PubChem CID170089691
Molecular FormulaC37H41F2N5O
Molecular Weight609.77 g/mol
Exact Mass609.33
IUPAC Name4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline
SMILESCCc1c(F)ccc2cc(N=O)cc(-c3ccc4c(N5CCCC6(CCC6)C5)nc(CCC56CCCN5CCC6)nc4c3F)c12
InChIInChI=1S/C37H41F2N5O/c1-2-26-30(38)10-7-24-21-25(42-45)22-29(32(24)26)27-8-9-28-34(33(27)39)40-31(11-17-37-15-5-19-44(37)20-6-16-37)41-35(28)43-18-4-14-36(23-43)12-3-13-36/h7-10,21-22H,2-6,11-20,23H2,1H3
InChIKeyOKAXMPYTLFDZRS-UHFFFAOYSA-N
XLogP9.02
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline?
The IUPAC name of 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline (CID 170089691) is 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline.
What is the SMILES notation for 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline?
The canonical SMILES for 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline is CCc1c(F)ccc2cc(N=O)cc(-c3ccc4c(N5CCCC6(CCC6)C5)nc(CCC56CCCN5CCC6)nc4c3F)c12.
What is the InChIKey of 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline?
The InChIKey is OKAXMPYTLFDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41F2N5O/c1-2-26-30(38)10-7-24-21-25(42-45)22-29(32(24)26)27-8-9-28-34(33(27)39)40-31(11-17-37-15-5-19-44(37)20-6-16-37)41-35(28)43-18-4-14-36(23-43)12-3-13-36/h7-10,21-22H,2-6,11-20,23H2,1H3.
What are the key properties of 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline?
4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline has a molecular weight of 609.77 g/mol, XLogP of 9.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[3.5]nonan-6-yl)-7-(8-ethyl-7-fluoro-3-nitrosonaphthalen-1-yl)-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]quinazoline is sourced from PubChem (CID 170089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).