8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C22H23FN4O3 — CID 137434191

About 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 137434191) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
• PubChem CID: 137434191
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
• SMILES: C=Cc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1
• InChI: InChI=1S/C22H23FN4O3/c1-4-15-11-16-13(2)18(21-24-14(3)26-30-21)20(25-19(16)17(23)12-15)27-7-5-22(6-8-27)28-9-10-29-22/h4,11-12H,1,5-10H2,2-3H3
• InChIKey: QKVALRPXRBAVHH-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 73.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?

The IUPAC name of 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 137434191) is 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

What is the SMILES notation for 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?

The canonical SMILES for 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is C=Cc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1.

What is the InChIKey of 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?

The InChIKey is QKVALRPXRBAVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-4-15-11-16-13(2)18(21-24-14(3)26-30-21)20(25-19(16)17(23)12-15)27-7-5-22(6-8-27)28-9-10-29-22/h4,11-12H,1,5-10H2,2-3H3.

What are the key properties of 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane?

8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 410.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-ethenyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 137434191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).