N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine

C134H161F9N28 — CID 158207038

IUPACN,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
SMILESCc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C3CCCCC3)n2)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C3CCCC3)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CC3CC3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H45N7.C34H40F3N7.C33H38F3N7.C32H38F3N7/c1-24-16-25(2)18-29(17-24)22-41(35-37-39-42(38-35)32-10-5-4-6-11-32)23-31-19-30-9-7-8-26(3)33(30)36-34(31)40(20-27-12-13-27)21-28-14-15-28;1-22-14-26(16-29(15-22)34(35,36)37)20-43(33-39-41-44(40-33)30-8-3-4-9-30)21-28-17-27-7-5-6-23(2)31(27)38-32(28)42(18-24-10-11-24)19-25-12-13-25;1-21-12-26(14-29(13-21)33(34,35)36)18-42(32-38-40-43(39-32)19-25-10-11-25)20-28-15-27-5-3-4-22(2)30(27)37-31(28)41(16-23-6-7-23)17-24-8-9-24;1-20(2)42-38-31(37-39-42)41(18-25-12-21(3)13-28(14-25)32(33,34)35)19-27-15-26-7-5-6-22(4)29(26)36-30(27)40(16-23-8-9-23)17-24-10-11-24/h7-9,16-19,27-28,32H,4-6,10-15,20-23H2,1-3H3;5-7,14-17,24-25,30H,3-4,8-13,18-21H2,1-2H3;3-5,12-15,23-25H,6-11,16-20H2,1-2H3;5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3
InChIKeyGBPSQNACDYMTHG-UHFFFAOYSA-N
MW2334.94 g/mol
LogP29.66
Rot. Bonds45

About N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine

N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine (PubChem CID 158207038) has the molecular formula C134H161F9N28 and a molecular weight of 2334.94 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
PubChem CID158207038
Molecular FormulaC134H161F9N28
Molecular Weight2334.94 g/mol
Exact Mass2333.33
IUPAC NameN,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
SMILESCc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C3CCCCC3)n2)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C3CCCC3)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CC3CC3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H45N7.C34H40F3N7.C33H38F3N7.C32H38F3N7/c1-24-16-25(2)18-29(17-24)22-41(35-37-39-42(38-35)32-10-5-4-6-11-32)23-31-19-30-9-7-8-26(3)33(30)36-34(31)40(20-27-12-13-27)21-28-14-15-28;1-22-14-26(16-29(15-22)34(35,36)37)20-43(33-39-41-44(40-33)30-8-3-4-9-30)21-28-17-27-7-5-6-23(2)31(27)38-32(28)42(18-24-10-11-24)19-25-12-13-25;1-21-12-26(14-29(13-21)33(34,35)36)18-42(32-38-40-43(39-32)19-25-10-11-25)20-28-15-27-5-3-4-22(2)30(27)37-31(28)41(16-23-6-7-23)17-24-8-9-24;1-20(2)42-38-31(37-39-42)41(18-25-12-21(3)13-28(14-25)32(33,34)35)19-27-15-26-7-5-6-22(4)29(26)36-30(27)40(16-23-8-9-23)17-24-10-11-24/h7-9,16-19,27-28,32H,4-6,10-15,20-23H2,1-3H3;5-7,14-17,24-25,30H,3-4,8-13,18-21H2,1-2H3;3-5,12-15,23-25H,6-11,16-20H2,1-2H3;5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3
InChIKeyGBPSQNACDYMTHG-UHFFFAOYSA-N
XLogP29.66
TPSA251.88 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.94
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine (CID 158207038) is N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine is Cc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C3CCCCC3)n2)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C3CCCC3)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CC3CC3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
The InChIKey is GBPSQNACDYMTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N7.C34H40F3N7.C33H38F3N7.C32H38F3N7/c1-24-16-25(2)18-29(17-24)22-41(35-37-39-42(38-35)32-10-5-4-6-11-32)23-31-19-30-9-7-8-26(3)33(30)36-34(31)40(20-27-12-13-27)21-28-14-15-28;1-22-14-26(16-29(15-22)34(35,36)37)20-43(33-39-41-44(40-33)30-8-3-4-9-30)21-28-17-27-7-5-6-23(2)31(27)38-32(28)42(18-24-10-11-24)19-25-12-13-25;1-21-12-26(14-29(13-21)33(34,35)36)18-42(32-38-40-43(39-32)19-25-10-11-25)20-28-15-27-5-3-4-22(2)30(27)37-31(28)41(16-23-6-7-23)17-24-8-9-24;1-20(2)42-38-31(37-39-42)41(18-25-12-21(3)13-28(14-25)32(33,34)35)19-27-15-26-7-5-6-22(4)29(26)36-30(27)40(16-23-8-9-23)17-24-10-11-24/h7-9,16-19,27-28,32H,4-6,10-15,20-23H2,1-3H3;5-7,14-17,24-25,30H,3-4,8-13,18-21H2,1-2H3;3-5,12-15,23-25H,6-11,16-20H2,1-2H3;5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3.
What are the key properties of N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine has a molecular weight of 2334.94 g/mol, XLogP of 29.66, 45 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-3-[[[2-(cyclopropylmethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-2-amine;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[(2-cyclopentyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine is sourced from PubChem (CID 158207038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).