1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol

C111H132F5N25O10 — CID 158823001

About 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol

1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 158823001) has the molecular formula C111H132F5N25O10 and a molecular weight of 2071.43 g/mol. Its IUPAC name is 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol
• PubChem CID: 158823001
• Molecular Formula: C111H132F5N25O10
• Molecular Weight: 2071.43 g/mol
• Exact Mass: 2070.05
• IUPAC Name: 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol
• SMILES: Cc1nc(-c2cc3cc(F)ccc3nc2N2CCC(NC3CCOCC3)CC2)no1.Cc1nc(-c2cc3cc(F)ccc3nc2N2CCC(N[C@@H]3CCCC[C@H]3O)CC2)no1.Cc1nc(-c2cc3cc(F)ccc3nc2N2CCC(N[C@H]3CCC[C@@H]3O)CC2)no1.Cc1noc(-c2cc3c(F)cccc3nc2N2CCC(NC3CCOCC3)CC2)n1.Cc1noc(-c2cc3cc(F)ccc3nc2N2CCC(NC3CCOCC3)CC2)n1
• InChI: InChI=1S/C23H28FN5O2.4C22H26FN5O2/c1-14-25-22(28-31-14)18-13-15-12-16(24)6-7-19(15)27-23(18)29-10-8-17(9-11-29)26-20-4-2-3-5-21(20)30;1-14-24-22(30-27-14)19-13-15-12-16(23)2-3-20(15)26-21(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-21(27-30-14)19-13-15-12-16(23)2-3-20(15)26-22(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-22(30-27-14)18-13-17-19(23)3-2-4-20(17)26-21(18)28-9-5-15(6-10-28)25-16-7-11-29-12-8-16;1-13-24-21(27-30-13)17-12-14-11-15(23)5-6-18(14)26-22(17)28-9-7-16(8-10-28)25-19-3-2-4-20(19)29/h6-7,12-13,17,20-21,26,30H,2-5,8-11H2,1H3;2*2-3,12-13,17-18,25H,4-11H2,1H3;2-4,13,15-16,25H,5-12H2,1H3;5-6,11-12,16,19-20,25,29H,2-4,7-10H2,1H3/t20-,21-;;;;19-,20-/m1...0/s1
• InChIKey: IWCKROSUYABUGN-UVVBWVPZSA-N
• XLogP: 17.21
• TPSA: 403.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2071.43
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol?

The IUPAC name of 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol (CID 158823001) is 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol?

The canonical SMILES for 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol is Cc1nc(-c2cc3cc(F)ccc3nc2N2CCC(NC3CCOCC3)CC2)no1.Cc1nc(-c2cc3cc(F)ccc3nc2N2CCC(N[C@@H]3CCCC[C@H]3O)CC2)no1.Cc1nc(-c2cc3cc(F)ccc3nc2N2CCC(N[C@H]3CCC[C@@H]3O)CC2)no1.Cc1noc(-c2cc3c(F)cccc3nc2N2CCC(NC3CCOCC3)CC2)n1.Cc1noc(-c2cc3cc(F)ccc3nc2N2CCC(NC3CCOCC3)CC2)n1.

What is the InChIKey of 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol?

The InChIKey is IWCKROSUYABUGN-UVVBWVPZSA-N. The full InChI is InChI=1S/C23H28FN5O2.4C22H26FN5O2/c1-14-25-22(28-31-14)18-13-15-12-16(24)6-7-19(15)27-23(18)29-10-8-17(9-11-29)26-20-4-2-3-5-21(20)30;1-14-24-22(30-27-14)19-13-15-12-16(23)2-3-20(15)26-21(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-21(27-30-14)19-13-15-12-16(23)2-3-20(15)26-22(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-22(30-27-14)18-13-17-19(23)3-2-4-20(17)26-21(18)28-9-5-15(6-10-28)25-16-7-11-29-12-8-16;1-13-24-21(27-30-13)17-12-14-11-15(23)5-6-18(14)26-22(17)28-9-7-16(8-10-28)25-19-3-2-4-20(19)29/h6-7,12-13,17,20-21,26,30H,2-5,8-11H2,1H3;2*2-3,12-13,17-18,25H,4-11H2,1H3;2-4,13,15-16,25H,5-12H2,1H3;5-6,11-12,16,19-20,25,29H,2-4,7-10H2,1H3/t20-,21-;;;;19-,20-/m1...0/s1.

What are the key properties of 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol?

1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 2071.43 g/mol, XLogP of 17.21, 20 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1R,2R)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;trans-(1S,2S)-2-[[1-[6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 158823001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).