7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one

C22H24FN5O2 — CID 164627301

About 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one

7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one (PubChem CID 164627301) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one.

Molecular Properties

• Compound Name: 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one
• PubChem CID: 164627301
• Molecular Formula: C22H24FN5O2
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.19
• IUPAC Name: 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one
• SMILES: Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(-c3ncon3)c(=O)n(C3CC3)c12
• InChI: InChI=1S/C22H24FN5O2/c1-12-18-13(8-16(20-25-11-30-26-20)21(29)28(18)15-2-3-15)9-17(23)19(12)27-7-4-14(10-27)22(24)5-6-22/h8-9,11,14-15H,2-7,10,24H2,1H3/t14-/m1/s1
• InChIKey: LMWFNTWXZNYTPS-CQSZACIVSA-N
• XLogP: 3.15
• TPSA: 90.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one?

The IUPAC name of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one (CID 164627301) is 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one.

What is the SMILES notation for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one?

The canonical SMILES for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one is Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(-c3ncon3)c(=O)n(C3CC3)c12.

What is the InChIKey of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one?

The InChIKey is LMWFNTWXZNYTPS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-12-18-13(8-16(20-25-11-30-26-20)21(29)28(18)15-2-3-15)9-17(23)19(12)27-7-4-14(10-27)22(24)5-6-22/h8-9,11,14-15H,2-7,10,24H2,1H3/t14-/m1/s1.

What are the key properties of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one?

7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one has a molecular weight of 409.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one is sourced from PubChem (CID 164627301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).