ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate

C148H172F15N15O10 — CID 158560804

IUPACethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.CCCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.CCN(CC1CC1)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.CCOC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N(CC)Cc1ccccc1
InChIInChI=1S/2C31H38F3N3O2.C31H32F3N3O2.C28H34F3N3O2.C27H30F3N3O2/c1-4-14-36(19-23-10-6-7-11-23)29-26(18-25-12-8-9-13-28(25)35-29)21-37(30(38)39-5-2)20-24-15-22(3)16-27(17-24)31(32,33)34;2*1-4-36(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;1-5-8-13-33(6-2)26-23(17-22-11-9-10-12-25(22)32-26)19-34(27(35)36-7-3)18-21-14-20(4)15-24(16-21)28(29,30)31;1-4-32(15-19-9-10-19)25-22(14-21-7-5-6-8-24(21)31-25)17-33(26(34)35-3)16-20-11-18(2)12-23(13-20)27(28,29)30/h8-9,12-13,15-18,23H,4-7,10-11,14,19-21H2,1-3H3;9-10,13-18,23H,4-8,11-12,19-21H2,1-3H3;6-18H,4-5,19-21H2,1-3H3;9-12,14-17H,5-8,13,18-19H2,1-4H3;5-8,11-14,19H,4,9-10,15-17H2,1-3H3
InChIKeyHQWAXYDDZFDURZ-UHFFFAOYSA-N
MW2606.07 g/mol
LogP37.92
Rot. Bonds46

About ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate

ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 158560804) has the molecular formula C148H172F15N15O10 and a molecular weight of 2606.07 g/mol. Its IUPAC name is ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID158560804
Molecular FormulaC148H172F15N15O10
Molecular Weight2606.07 g/mol
Exact Mass2604.32
IUPAC Nameethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.CCCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.CCN(CC1CC1)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.CCOC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N(CC)Cc1ccccc1
InChIInChI=1S/2C31H38F3N3O2.C31H32F3N3O2.C28H34F3N3O2.C27H30F3N3O2/c1-4-14-36(19-23-10-6-7-11-23)29-26(18-25-12-8-9-13-28(25)35-29)21-37(30(38)39-5-2)20-24-15-22(3)16-27(17-24)31(32,33)34;2*1-4-36(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;1-5-8-13-33(6-2)26-23(17-22-11-9-10-12-25(22)32-26)19-34(27(35)36-7-3)18-21-14-20(4)15-24(16-21)28(29,30)31;1-4-32(15-19-9-10-19)25-22(14-21-7-5-6-8-24(21)31-25)17-33(26(34)35-3)16-20-11-18(2)12-23(13-20)27(28,29)30/h8-9,12-13,15-18,23H,4-7,10-11,14,19-21H2,1-3H3;9-10,13-18,23H,4-8,11-12,19-21H2,1-3H3;6-18H,4-5,19-21H2,1-3H3;9-12,14-17H,5-8,13,18-19H2,1-4H3;5-8,11-14,19H,4,9-10,15-17H2,1-3H3
InChIKeyHQWAXYDDZFDURZ-UHFFFAOYSA-N
XLogP37.92
TPSA228.35 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds46
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.07
LogP ≤ 537.92
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;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]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;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate (CID 158560804) is ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]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;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate is CCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.CCCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.CCN(CC1CC1)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.CCOC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N(CC)Cc1ccccc1.
What is the InChIKey of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is HQWAXYDDZFDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H38F3N3O2.C31H32F3N3O2.C28H34F3N3O2.C27H30F3N3O2/c1-4-14-36(19-23-10-6-7-11-23)29-26(18-25-12-8-9-13-28(25)35-29)21-37(30(38)39-5-2)20-24-15-22(3)16-27(17-24)31(32,33)34;2*1-4-36(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;1-5-8-13-33(6-2)26-23(17-22-11-9-10-12-25(22)32-26)19-34(27(35)36-7-3)18-21-14-20(4)15-24(16-21)28(29,30)31;1-4-32(15-19-9-10-19)25-22(14-21-7-5-6-8-24(21)31-25)17-33(26(34)35-3)16-20-11-18(2)12-23(13-20)27(28,29)30/h8-9,12-13,15-18,23H,4-7,10-11,14,19-21H2,1-3H3;9-10,13-18,23H,4-8,11-12,19-21H2,1-3H3;6-18H,4-5,19-21H2,1-3H3;9-12,14-17H,5-8,13,18-19H2,1-4H3;5-8,11-14,19H,4,9-10,15-17H2,1-3H3.
What are the key properties of ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate?
ethyl N-[[2-[benzyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 2606.07 g/mol, XLogP of 37.92, 46 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;ethyl N-[[2-[butyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclohexylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;ethyl N-[[2-[cyclopentylmethyl(propyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate;methyl N-[[2-[cyclopropylmethyl(ethyl)amino]quinolin-3-yl]methyl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 158560804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).