ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate

C136H145F18N15O10 — CID 158789413

IUPACethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate
SMILESCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC.CCOC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N(CC)Cc1ccccc1.COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCC1.COC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C31H32F3N3O2.C29H34F3N3O2.C26H28F3N3O2.C25H23F6N3O2.C25H28F3N3O2/c1-4-36(19-23-11-7-6-8-12-23)29-26(18-25-13-9-10-14-28(25)35-29)21-37(30(38)39-5-2)20-24-15-22(3)16-27(17-24)31(32,33)34;1-4-34(17-21-9-5-6-10-21)27-24(16-23-11-7-8-12-26(23)33-27)19-35(28(36)37-3)18-22-13-20(2)14-25(15-22)29(30,31)32;1-18-12-19(14-22(13-18)26(27,28)29)16-32(25(33)34-2)17-21-15-20-8-4-5-9-23(20)30-24(21)31-10-6-3-7-11-31;1-36-23(35)34(14-16-10-19(24(26,27)28)13-20(11-16)25(29,30)31)15-18-12-17-6-2-3-7-21(17)32-22(18)33-8-4-5-9-33;1-5-30(6-2)23-20(14-19-9-7-8-10-22(19)29-23)16-31(24(32)33-4)15-18-11-17(3)12-21(13-18)25(26,27)28/h6-18H,4-5,19-21H2,1-3H3;7-8,11-16,21H,4-6,9-10,17-19H2,1-3H3;4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1-2H3;2-3,6-7,10-13H,4-5,8-9,14-15H2,1H3;7-14H,5-6,15-16H2,1-4H3
InChIKeyISBUVQXBHLDCDF-UHFFFAOYSA-N
MW2491.71 g/mol
LogP34.23
Rot. Bonds34

About ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate

ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate (PubChem CID 158789413) has the molecular formula C136H145F18N15O10 and a molecular weight of 2491.71 g/mol. Its IUPAC name is ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate
PubChem CID158789413
Molecular FormulaC136H145F18N15O10
Molecular Weight2491.71 g/mol
Exact Mass2490.10
IUPAC Nameethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate
SMILESCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC.CCOC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N(CC)Cc1ccccc1.COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCC1.COC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C31H32F3N3O2.C29H34F3N3O2.C26H28F3N3O2.C25H23F6N3O2.C25H28F3N3O2/c1-4-36(19-23-11-7-6-8-12-23)29-26(18-25-13-9-10-14-28(25)35-29)21-37(30(38)39-5-2)20-24-15-22(3)16-27(17-24)31(32,33)34;1-4-34(17-21-9-5-6-10-21)27-24(16-23-11-7-8-12-26(23)33-27)19-35(28(36)37-3)18-22-13-20(2)14-25(15-22)29(30,31)32;1-18-12-19(14-22(13-18)26(27,28)29)16-32(25(33)34-2)17-21-15-20-8-4-5-9-23(20)30-24(21)31-10-6-3-7-11-31;1-36-23(35)34(14-16-10-19(24(26,27)28)13-20(11-16)25(29,30)31)15-18-12-17-6-2-3-7-21(17)32-22(18)33-8-4-5-9-33;1-5-30(6-2)23-20(14-19-9-7-8-10-22(19)29-23)16-31(24(32)33-4)15-18-11-17(3)12-21(13-18)25(26,27)28/h6-18H,4-5,19-21H2,1-3H3;7-8,11-16,21H,4-6,9-10,17-19H2,1-3H3;4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1-2H3;2-3,6-7,10-13H,4-5,8-9,14-15H2,1H3;7-14H,5-6,15-16H2,1-4H3
InChIKeyISBUVQXBHLDCDF-UHFFFAOYSA-N
XLogP34.23
TPSA228.35 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.71
LogP ≤ 534.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate?
The IUPAC name of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate (CID 158789413) is ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate is CCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OC.CCOC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N(CC)Cc1ccccc1.COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCC1.COC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCCC1.
What is the InChIKey of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate?
The InChIKey is ISBUVQXBHLDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O2.C29H34F3N3O2.C26H28F3N3O2.C25H23F6N3O2.C25H28F3N3O2/c1-4-36(19-23-11-7-6-8-12-23)29-26(18-25-13-9-10-14-28(25)35-29)21-37(30(38)39-5-2)20-24-15-22(3)16-27(17-24)31(32,33)34;1-4-34(17-21-9-5-6-10-21)27-24(16-23-11-7-8-12-26(23)33-27)19-35(28(36)37-3)18-22-13-20(2)14-25(15-22)29(30,31)32;1-18-12-19(14-22(13-18)26(27,28)29)16-32(25(33)34-2)17-21-15-20-8-4-5-9-23(20)30-24(21)31-10-6-3-7-11-31;1-36-23(35)34(14-16-10-19(24(26,27)28)13-20(11-16)25(29,30)31)15-18-12-17-6-2-3-7-21(17)32-22(18)33-8-4-5-9-33;1-5-30(6-2)23-20(14-19-9-7-8-10-22(19)29-23)16-31(24(32)33-4)15-18-11-17(3)12-21(13-18)25(26,27)28/h6-18H,4-5,19-21H2,1-3H3;7-8,11-16,21H,4-6,9-10,17-19H2,1-3H3;4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1-2H3;2-3,6-7,10-13H,4-5,8-9,14-15H2,1H3;7-14H,5-6,15-16H2,1-4H3.
What are the key properties of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate?
ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate has a molecular weight of 2491.71 g/mol, XLogP of 34.23, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]carbamate;methyl N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-(diethylamino)quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]carbamate is sourced from PubChem (CID 158789413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).