N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
C123H161N25O10 — CID 157212398
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCC3)C(OC)C2)n1.COC1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCC1.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NC1CCCC1.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NC1CCCCCC1.Cc1noc(-c2cc3cc(C)c(C)cc3nc2N2CCC(NC3CCCCC3)C(CO)C2)n1
InChIInChI=1S/C26H35N5O2.2C25H33N5O2.C24H31N5O2.C23H29N5O2/c1-16-11-19-13-22(26-27-18(3)30-33-26)25(29-24(19)12-17(16)2)31-10-9-23(20(14-31)15-32)28-21-7-5-4-6-8-21;1-17-26-25(32-29-17)20-15-18-9-7-8-12-21(18)28-24(20)30-14-13-22(23(16-30)31-2)27-19-10-5-3-4-6-11-19;1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18;1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(14-29)30-3)26-18-6-4-5-7-18;1-15-24-23(30-27-15)18-13-16-7-3-6-10-19(16)26-22(18)28-12-11-20(21(14-28)29-2)25-17-8-4-5-9-17/h11-13,20-21,23,28,32H,4-10,14-15H2,1-3H3;7-9,12,15,19,22-23,27H,3-6,10-11,13-14,16H2,1-2H3;9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3;8-9,12-13,18,21-22,26H,4-7,10-11,14H2,1-3H3;3,6-7,10,13,17,20-21,25H,4-5,8-9,11-12,14H2,1-2H3
InChIKeyASANDAKEEZZFEN-UHFFFAOYSA-N
MW2149.81 g/mol
LogP20.85
Rot. Bonds26
About N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 157212398) has the molecular formula C123H161N25O10 and a molecular weight of 2149.81 g/mol. Its IUPAC name is N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
Molecular Properties
| Compound Name | N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine |
|---|---|
| PubChem CID | 157212398 |
| Molecular Formula | C123H161N25O10 |
| Molecular Weight | 2149.81 g/mol |
| Exact Mass | 2148.29 |
| IUPAC Name | N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine |
| SMILES | CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCC3)C(OC)C2)n1.COC1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCC1.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NC1CCCC1.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NC1CCCCCC1.Cc1noc(-c2cc3cc(C)c(C)cc3nc2N2CCC(NC3CCCCC3)C(CO)C2)n1 |
| InChI | InChI=1S/C26H35N5O2.2C25H33N5O2.C24H31N5O2.C23H29N5O2/c1-16-11-19-13-22(26-27-18(3)30-33-26)25(29-24(19)12-17(16)2)31-10-9-23(20(14-31)15-32)28-21-7-5-4-6-8-21;1-17-26-25(32-29-17)20-15-18-9-7-8-12-21(18)28-24(20)30-14-13-22(23(16-30)31-2)27-19-10-5-3-4-6-11-19;1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18;1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(14-29)30-3)26-18-6-4-5-7-18;1-15-24-23(30-27-15)18-13-16-7-3-6-10-19(16)26-22(18)28-12-11-20(21(14-28)29-2)25-17-8-4-5-9-17/h11-13,20-21,23,28,32H,4-10,14-15H2,1-3H3;7-9,12,15,19,22-23,27H,3-6,10-11,13-14,16H2,1-2H3;9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3;8-9,12-13,18,21-22,26H,4-7,10-11,14H2,1-3H3;3,6-7,10,13,17,20-21,25H,4-5,8-9,11-12,14H2,1-2H3 |
| InChIKey | ASANDAKEEZZFEN-UHFFFAOYSA-N |
| XLogP | 20.85 |
| TPSA | 392.55 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 158 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2149.81 |
| LogP ≤ 5 | 20.85 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 157212398) is N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is CCc1noc(-c2cc3cc(C)ccc3nc2N2CCC(NC3CCCC3)C(OC)C2)n1.COC1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCC1.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NC1CCCC1.COC1CN(c2nc3ccccc3cc2-c2nc(C)no2)CCC1NC1CCCCCC1.Cc1noc(-c2cc3cc(C)c(C)cc3nc2N2CCC(NC3CCCCC3)C(CO)C2)n1.
What is the InChIKey of N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is ASANDAKEEZZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2.2C25H33N5O2.C24H31N5O2.C23H29N5O2/c1-16-11-19-13-22(26-27-18(3)30-33-26)25(29-24(19)12-17(16)2)31-10-9-23(20(14-31)15-32)28-21-7-5-4-6-8-21;1-17-26-25(32-29-17)20-15-18-9-7-8-12-21(18)28-24(20)30-14-13-22(23(16-30)31-2)27-19-10-5-3-4-6-11-19;1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18;1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(14-29)30-3)26-18-6-4-5-7-18;1-15-24-23(30-27-15)18-13-16-7-3-6-10-19(16)26-22(18)28-12-11-20(21(14-28)29-2)25-17-8-4-5-9-17/h11-13,20-21,23,28,32H,4-10,14-15H2,1-3H3;7-9,12,15,19,22-23,27H,3-6,10-11,13-14,16H2,1-2H3;9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3;8-9,12-13,18,21-22,26H,4-7,10-11,14H2,1-3H3;3,6-7,10,13,17,20-21,25H,4-5,8-9,11-12,14H2,1-2H3.
What are the key properties of N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 2149.81 g/mol, XLogP of 20.85, 26 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;[4-(cyclohexylamino)-1-[6,7-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol;N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine;N-cyclopentyl-3-methoxy-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 157212398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157212398 — identifiers, structure, computed properties (public domain)
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