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-[4-(cyclohexylmethyl)piperazin-1-yl]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

C118H141F12N13O8 — CID 159277359

IUPACethyl 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-[4-(cyclohexylmethyl)piperazin-1-yl]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
SMILESCCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.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)Cc1cc2ccccc2nc1N1CCN(CC2CCCCC2)CC1.COC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C33H41F3N4O2.C31H38F3N3O2.C28H34F3N3O2.C26H28F3N3O2/c1-3-42-32(41)40(22-26-17-24(2)18-29(19-26)33(34,35)36)23-28-20-27-11-7-8-12-30(27)37-31(28)39-15-13-38(14-16-39)21-25-9-5-4-6-10-25;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;1-18-12-19(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/h7-8,11-12,17-20,25H,3-6,9-10,13-16,21-23H2,1-2H3;9-10,13-18,23H,4-8,11-12,19-21H2,1-3H3;9-12,14-17H,5-8,13,18-19H2,1-4H3;4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1-2H3
InChIKeyKYMDHGZTJDHAPO-UHFFFAOYSA-N
MW2097.48 g/mol
LogP29.22
Rot. Bonds32

About 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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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 159277359) has the molecular formula C118H141F12N13O8 and a molecular weight of 2097.48 g/mol. Its IUPAC name is 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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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 CID159277359
Molecular FormulaC118H141F12N13O8
Molecular Weight2097.48 g/mol
Exact Mass2096.08
IUPAC Nameethyl 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-[4-(cyclohexylmethyl)piperazin-1-yl]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
SMILESCCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.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)Cc1cc2ccccc2nc1N1CCN(CC2CCCCC2)CC1.COC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C33H41F3N4O2.C31H38F3N3O2.C28H34F3N3O2.C26H28F3N3O2/c1-3-42-32(41)40(22-26-17-24(2)18-29(19-26)33(34,35)36)23-28-20-27-11-7-8-12-30(27)37-31(28)39-15-13-38(14-16-39)21-25-9-5-4-6-10-25;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;1-18-12-19(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/h7-8,11-12,17-20,25H,3-6,9-10,13-16,21-23H2,1-2H3;9-10,13-18,23H,4-8,11-12,19-21H2,1-3H3;9-12,14-17H,5-8,13,18-19H2,1-4H3;4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1-2H3
InChIKeyKYMDHGZTJDHAPO-UHFFFAOYSA-N
XLogP29.22
TPSA185.92 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002097.48
LogP ≤ 529.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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 159277359) is 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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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 CCCCN(CC)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C(=O)OCC.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)Cc1cc2ccccc2nc1N1CCN(CC2CCCCC2)CC1.COC(=O)N(Cc1cc(C)cc(C(F)(F)F)c1)Cc1cc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 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-[4-(cyclohexylmethyl)piperazin-1-yl]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 KYMDHGZTJDHAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N4O2.C31H38F3N3O2.C28H34F3N3O2.C26H28F3N3O2/c1-3-42-32(41)40(22-26-17-24(2)18-29(19-26)33(34,35)36)23-28-20-27-11-7-8-12-30(27)37-31(28)39-15-13-38(14-16-39)21-25-9-5-4-6-10-25;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;1-18-12-19(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/h7-8,11-12,17-20,25H,3-6,9-10,13-16,21-23H2,1-2H3;9-10,13-18,23H,4-8,11-12,19-21H2,1-3H3;9-12,14-17H,5-8,13,18-19H2,1-4H3;4-5,8-9,12-15H,3,6-7,10-11,16-17H2,1-2H3.
What are the key properties of 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-[4-(cyclohexylmethyl)piperazin-1-yl]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-[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-[4-(cyclohexylmethyl)piperazin-1-yl]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 2097.48 g/mol, XLogP of 29.22, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[4-(cyclohexylmethyl)piperazin-1-yl]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 159277359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).