N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol

C112H134F5N25O8 — CID 158520822

IUPACN-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCCCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCOCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(N[C@H]3CCCC[C@@H]3O)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(N[C@H]3CCCOC3)CC2)no1
InChIInChI=1S/C23H28FN5O2.C23H28FN5O.2C22H26FN5O2.C22H26FN5O/c1-14-25-22(28-31-14)18-12-15-6-7-16(24)13-20(15)27-23(18)29-10-8-17(9-11-29)26-19-4-2-3-5-21(19)30;1-15-25-22(28-30-15)20-13-16-7-8-17(24)14-21(16)27-23(20)29-11-9-19(10-12-29)26-18-5-3-2-4-6-18;1-14-24-21(27-30-14)19-12-15-2-3-16(23)13-20(15)26-22(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-21(27-30-14)19-11-15-4-5-16(23)12-20(15)26-22(19)28-8-6-17(7-9-28)25-18-3-2-10-29-13-18;1-14-24-21(27-29-14)19-12-15-6-7-16(23)13-20(15)26-22(19)28-10-8-18(9-11-28)25-17-4-2-3-5-17/h6-7,12-13,17,19,21,26,30H,2-5,8-11H2,1H3;7-8,13-14,18-19,26H,2-6,9-12H2,1H3;2-3,12-13,17-18,25H,4-11H2,1H3;4-5,11-12,17-18,25H,2-3,6-10,13H2,1H3;6-7,12-13,17-18,25H,2-5,8-11H2,1H3/t19-,21-;;;18-;/m0..0./s1
InChIKeyHMEMQURWTYKUIX-IKXFZRCOSA-N
MW2053.46 g/mol
LogP19.39
Rot. Bonds20

About N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol

N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 158520822) has the molecular formula C112H134F5N25O8 and a molecular weight of 2053.46 g/mol. Its IUPAC name is N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound NameN-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID158520822
Molecular FormulaC112H134F5N25O8
Molecular Weight2053.46 g/mol
Exact Mass2052.08
IUPAC NameN-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCCCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCOCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(N[C@H]3CCCC[C@@H]3O)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(N[C@H]3CCCOC3)CC2)no1
InChIInChI=1S/C23H28FN5O2.C23H28FN5O.2C22H26FN5O2.C22H26FN5O/c1-14-25-22(28-31-14)18-12-15-6-7-16(24)13-20(15)27-23(18)29-10-8-17(9-11-29)26-19-4-2-3-5-21(19)30;1-15-25-22(28-30-15)20-13-16-7-8-17(24)14-21(16)27-23(20)29-11-9-19(10-12-29)26-18-5-3-2-4-6-18;1-14-24-21(27-30-14)19-12-15-2-3-16(23)13-20(15)26-22(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-21(27-30-14)19-11-15-4-5-16(23)12-20(15)26-22(19)28-8-6-17(7-9-28)25-18-3-2-10-29-13-18;1-14-24-21(27-29-14)19-12-15-6-7-16(23)13-20(15)26-22(19)28-10-8-18(9-11-28)25-17-4-2-3-5-17/h6-7,12-13,17,19,21,26,30H,2-5,8-11H2,1H3;7-8,13-14,18-19,26H,2-6,9-12H2,1H3;2-3,12-13,17-18,25H,4-11H2,1H3;4-5,11-12,17-18,25H,2-3,6-10,13H2,1H3;6-7,12-13,17-18,25H,2-5,8-11H2,1H3/t19-,21-;;;18-;/m0..0./s1
InChIKeyHMEMQURWTYKUIX-IKXFZRCOSA-N
XLogP19.39
TPSA374.09 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002053.46
LogP ≤ 519.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol (CID 158520822) is N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol is Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCCCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(NC3CCOCC3)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(N[C@H]3CCCC[C@@H]3O)CC2)no1.Cc1nc(-c2cc3ccc(F)cc3nc2N2CCC(N[C@H]3CCCOC3)CC2)no1.
What is the InChIKey of N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is HMEMQURWTYKUIX-IKXFZRCOSA-N. The full InChI is InChI=1S/C23H28FN5O2.C23H28FN5O.2C22H26FN5O2.C22H26FN5O/c1-14-25-22(28-31-14)18-12-15-6-7-16(24)13-20(15)27-23(18)29-10-8-17(9-11-29)26-19-4-2-3-5-21(19)30;1-15-25-22(28-30-15)20-13-16-7-8-17(24)14-21(16)27-23(20)29-11-9-19(10-12-29)26-18-5-3-2-4-6-18;1-14-24-21(27-30-14)19-12-15-2-3-16(23)13-20(15)26-22(19)28-8-4-17(5-9-28)25-18-6-10-29-11-7-18;1-14-24-21(27-30-14)19-11-15-4-5-16(23)12-20(15)26-22(19)28-8-6-17(7-9-28)25-18-3-2-10-29-13-18;1-14-24-21(27-29-14)19-12-15-6-7-16(23)13-20(15)26-22(19)28-10-8-18(9-11-28)25-17-4-2-3-5-17/h6-7,12-13,17,19,21,26,30H,2-5,8-11H2,1H3;7-8,13-14,18-19,26H,2-6,9-12H2,1H3;2-3,12-13,17-18,25H,4-11H2,1H3;4-5,11-12,17-18,25H,2-3,6-10,13H2,1H3;6-7,12-13,17-18,25H,2-5,8-11H2,1H3/t19-,21-;;;18-;/m0..0./s1.
What are the key properties of N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol?
N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2053.46 g/mol, XLogP of 19.39, 20 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 158520822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).