(2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine

C26H32FN5O3 — CID 137434281

About (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine

(2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine (PubChem CID 137434281) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
• PubChem CID: 137434281
• Molecular Formula: C26H32FN5O3
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.25
• IUPAC Name: (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
• SMILES: Cc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(OC4CC4)cc3c2C)n1
• InChI: InChI=1S/C26H32FN5O3/c1-14-10-17(29-18-7-9-33-13-18)6-8-32(14)25-23(26-28-16(3)31-35-26)15(2)21-11-20(34-19-4-5-19)12-22(27)24(21)30-25/h11-12,14,17-19,29H,4-10,13H2,1-3H3/t14-,17-,18-/m1/s1
• InChIKey: RPCNMJQONJEEEI-ZTFGCOKTSA-N
• XLogP: 4.32
• TPSA: 85.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?

The IUPAC name of (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine (CID 137434281) is (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine.

What is the SMILES notation for (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?

The canonical SMILES for (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine is Cc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(OC4CC4)cc3c2C)n1.

What is the InChIKey of (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?

The InChIKey is RPCNMJQONJEEEI-ZTFGCOKTSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-14-10-17(29-18-7-9-33-13-18)6-8-32(14)25-23(26-28-16(3)31-35-26)15(2)21-11-20(34-19-4-5-19)12-22(27)24(21)30-25/h11-12,14,17-19,29H,4-10,13H2,1-3H3/t14-,17-,18-/m1/s1.

What are the key properties of (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?

(2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 481.57 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-1-[6-cyclopropyloxy-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 137434281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).