1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol

C116H153N25O7 — CID 158435967

IUPAC1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
SMILESCCCC(C)NC1CCN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC1.CCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C4CC4)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC(C)O)CC3)c(-c3nc(C)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC4CCCCC4O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2.C24H31N5O.2C23H31N5O.C21H27N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31;1-15(2)14-25-19-8-10-29(11-9-19)23-20(24-27-22(28-30-24)17-5-6-17)13-18-12-16(3)4-7-21(18)26-23;1-5-17-6-7-21-18(12-17)13-20(23-25-16(4)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-15(2)3;1-5-6-16(3)24-19-9-11-28(12-10-19)22-20(23-25-17(4)27-29-23)14-18-13-15(2)7-8-21(18)26-22;1-13-4-5-19-16(10-13)11-18(21-23-15(3)25-28-21)20(24-19)26-8-6-17(7-9-26)22-12-14(2)27/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3;4,7,12-13,15,17,19,25H,5-6,8-11,14H2,1-3H3;6-7,12-13,15,19,24H,5,8-11,14H2,1-4H3;7-8,13-14,16,19,24H,5-6,9-12H2,1-4H3;4-5,10-11,14,17,22,27H,6-9,12H2,1-3H3
InChIKeyHCFMGAPWVWGHSP-UHFFFAOYSA-N
MW2009.67 g/mol
LogP20.56
Rot. Bonds28

About 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol

1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol (PubChem CID 158435967) has the molecular formula C116H153N25O7 and a molecular weight of 2009.67 g/mol. Its IUPAC name is 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
PubChem CID158435967
Molecular FormulaC116H153N25O7
Molecular Weight2009.67 g/mol
Exact Mass2008.24
IUPAC Name1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
SMILESCCCC(C)NC1CCN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC1.CCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C4CC4)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC(C)O)CC3)c(-c3nc(C)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC4CCCCC4O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2.C24H31N5O.2C23H31N5O.C21H27N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31;1-15(2)14-25-19-8-10-29(11-9-19)23-20(24-27-22(28-30-24)17-5-6-17)13-18-12-16(3)4-7-21(18)26-23;1-5-17-6-7-21-18(12-17)13-20(23-25-16(4)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-15(2)3;1-5-6-16(3)24-19-9-11-28(12-10-19)22-20(23-25-17(4)27-29-23)14-18-13-15(2)7-8-21(18)26-22;1-13-4-5-19-16(10-13)11-18(21-23-15(3)25-28-21)20(24-19)26-8-6-17(7-9-26)22-12-14(2)27/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3;4,7,12-13,15,17,19,25H,5-6,8-11,14H2,1-3H3;6-7,12-13,15,19,24H,5,8-11,14H2,1-4H3;7-8,13-14,16,19,24H,5-6,9-12H2,1-4H3;4-5,10-11,14,17,22,27H,6-9,12H2,1-3H3
InChIKeyHCFMGAPWVWGHSP-UHFFFAOYSA-N
XLogP20.56
TPSA375.86 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002009.67
LogP ≤ 520.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol (CID 158435967) is 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol is CCCC(C)NC1CCN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CC1.CCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C4CC4)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC(C)O)CC3)c(-c3nc(C)no3)cc2c1.Cc1ccc2nc(N3CCC(NCC4CCCCC4O)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
The InChIKey is HCFMGAPWVWGHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2.C24H31N5O.2C23H31N5O.C21H27N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31;1-15(2)14-25-19-8-10-29(11-9-19)23-20(24-27-22(28-30-24)17-5-6-17)13-18-12-16(3)4-7-21(18)26-23;1-5-17-6-7-21-18(12-17)13-20(23-25-16(4)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-15(2)3;1-5-6-16(3)24-19-9-11-28(12-10-19)22-20(23-25-17(4)27-29-23)14-18-13-15(2)7-8-21(18)26-22;1-13-4-5-19-16(10-13)11-18(21-23-15(3)25-28-21)20(24-19)26-8-6-17(7-9-26)22-12-14(2)27/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3;4,7,12-13,15,17,19,25H,5-6,8-11,14H2,1-3H3;6-7,12-13,15,19,24H,5,8-11,14H2,1-4H3;7-8,13-14,16,19,24H,5-6,9-12H2,1-4H3;4-5,10-11,14,17,22,27H,6-9,12H2,1-3H3.
What are the key properties of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol has a molecular weight of 2009.67 g/mol, XLogP of 20.56, 28 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-2-ylpiperidin-4-amine;2-[[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]methyl]cyclohexan-1-ol;1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 158435967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).