C141H162F15N35 — CID 159682533
N,N-bis(cyclopropylmethyl)-8-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-butyl-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclobutylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopropylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine (PubChem CID 159682533) has the molecular formula C141H162F15N35 and a molecular weight of 2632.06 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-8-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-butyl-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclobutylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopropylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine.
| Compound Name | N,N-bis(cyclopropylmethyl)-8-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-butyl-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclobutylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopropylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine |
|---|---|
| PubChem CID | 159682533 |
| Molecular Formula | C141H162F15N35 |
| Molecular Weight | 2632.06 g/mol |
| Exact Mass | 2630.35 |
| IUPAC Name | N,N-bis(cyclopropylmethyl)-8-methyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-butyl-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclobutylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopropylmethyl)-N-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine |
| SMILES | CCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1nnn(C)n1.CCN(CC1CC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1nnn(C)n1.CCN(CC1CCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1nnn(C)n1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1nnnn1C.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C)n2)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C30H34F3N7.C29H34F3N7.C28H32F3N7.C27H30F3N7.C27H32F3N7/c1-19-11-23(13-26(12-19)30(31,32)33)17-40(29-35-37-38(3)36-29)18-25-14-24-6-4-5-20(2)27(24)34-28(25)39(15-21-7-8-21)16-22-9-10-22;1-4-38(17-21-9-5-6-10-21)27-24(16-23-11-7-8-12-26(23)33-27)19-39(28-34-35-36-37(28)3)18-22-13-20(2)14-25(15-22)29(30,31)32;1-4-37(16-20-8-7-9-20)26-23(15-22-10-5-6-11-25(22)32-26)18-38(27-33-35-36(3)34-27)17-21-12-19(2)13-24(14-21)28(29,30)31;1-4-36(15-19-9-10-19)25-22(14-21-7-5-6-8-24(21)31-25)17-37(26-32-34-35(3)33-26)16-20-11-18(2)12-23(13-20)27(28,29)30;1-5-7-12-36(6-2)25-22(16-21-10-8-9-11-24(21)31-25)18-37(26-32-34-35(4)33-26)17-20-13-19(3)14-23(15-20)27(28,29)30/h4-6,11-14,21-22H,7-10,15-18H2,1-3H3;7-8,11-16,21H,4-6,9-10,17-19H2,1-3H3;5-6,10-15,20H,4,7-9,16-18H2,1-3H3;5-8,11-14,19H,4,9-10,15-17H2,1-3H3;8-11,13-16H,5-7,12,17-18H2,1-4H3 |
| InChIKey | MVJPINRSTOXJGH-UHFFFAOYSA-N |
| XLogP | 29.90 |
| TPSA | 314.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2632.06 |
| LogP ≤ 5 | 29.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |