2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine

C126H145F15N28O2 — CID 159712689

IUPAC2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine
SMILESCOCCn1nnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)n1.Cc1cc(CN(Cc2cc3cccc(C(C)C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCO)n2)cc(C(F)(F)F)c1.Cc1ccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc2c1C
InChIInChI=1S/C32H38F3N7O.C32H38F3N7.C31H33F6N7.C31H36F3N7O/c1-21-13-25(15-28(14-21)32(33,34)35)19-41(31-37-39-42(38-31)11-12-43-3)20-27-16-26-6-4-5-22(2)29(26)36-30(27)40(17-23-7-8-23)18-24-9-10-24;1-20(2)28-7-5-6-25-15-26(30(36-29(25)28)41(16-22-8-9-22)17-23-10-11-23)19-42(31-37-39-40(4)38-31)18-24-12-21(3)13-27(14-24)32(33,34)35;1-18-4-9-23-12-24(28(38-27(23)19(18)2)43(14-20-5-6-20)15-21-7-8-21)17-44(29-39-41-42(3)40-29)16-22-10-25(30(32,33)34)13-26(11-22)31(35,36)37;1-20-12-24(14-27(13-20)31(32,33)34)18-40(30-36-38-41(37-30)10-11-42)19-26-15-25-5-3-4-21(2)28(25)35-29(26)39(16-22-6-7-22)17-23-8-9-23/h4-6,13-16,23-24H,7-12,17-20H2,1-3H3;5-7,12-15,20,22-23H,8-11,16-19H2,1-4H3;4,9-13,20-21H,5-8,14-17H2,1-3H3;3-5,12-15,22-23,42H,6-11,16-19H2,1-2H3
InChIKeyMZASNFSCODDCMG-UHFFFAOYSA-N
MW2368.71 g/mol
LogP26.31
Rot. Bonds46

About 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine

2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine (PubChem CID 159712689) has the molecular formula C126H145F15N28O2 and a molecular weight of 2368.71 g/mol. Its IUPAC name is 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine.

Molecular Properties

Compound Name2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine
PubChem CID159712689
Molecular FormulaC126H145F15N28O2
Molecular Weight2368.71 g/mol
Exact Mass2367.19
IUPAC Name2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine
SMILESCOCCn1nnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)n1.Cc1cc(CN(Cc2cc3cccc(C(C)C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCO)n2)cc(C(F)(F)F)c1.Cc1ccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc2c1C
InChIInChI=1S/C32H38F3N7O.C32H38F3N7.C31H33F6N7.C31H36F3N7O/c1-21-13-25(15-28(14-21)32(33,34)35)19-41(31-37-39-42(38-31)11-12-43-3)20-27-16-26-6-4-5-22(2)29(26)36-30(27)40(17-23-7-8-23)18-24-9-10-24;1-20(2)28-7-5-6-25-15-26(30(36-29(25)28)41(16-22-8-9-22)17-23-10-11-23)19-42(31-37-39-40(4)38-31)18-24-12-21(3)13-27(14-24)32(33,34)35;1-18-4-9-23-12-24(28(38-27(23)19(18)2)43(14-20-5-6-20)15-21-7-8-21)17-44(29-39-41-42(3)40-29)16-22-10-25(30(32,33)34)13-26(11-22)31(35,36)37;1-20-12-24(14-27(13-20)31(32,33)34)18-40(30-36-38-41(37-30)10-11-42)19-26-15-25-5-3-4-21(2)28(25)35-29(26)39(16-22-6-7-22)17-23-8-9-23/h4-6,13-16,23-24H,7-12,17-20H2,1-3H3;5-7,12-15,20,22-23H,8-11,16-19H2,1-4H3;4,9-13,20-21H,5-8,14-17H2,1-3H3;3-5,12-15,22-23,42H,6-11,16-19H2,1-2H3
InChIKeyMZASNFSCODDCMG-UHFFFAOYSA-N
XLogP26.31
TPSA281.34 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.71
LogP ≤ 526.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine?
The IUPAC name of 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine (CID 159712689) is 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine.
What is the SMILES notation for 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine?
The canonical SMILES for 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine is COCCn1nnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)n1.Cc1cc(CN(Cc2cc3cccc(C(C)C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCO)n2)cc(C(F)(F)F)c1.Cc1ccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc2c1C.
What is the InChIKey of 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine?
The InChIKey is MZASNFSCODDCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N7O.C32H38F3N7.C31H33F6N7.C31H36F3N7O/c1-21-13-25(15-28(14-21)32(33,34)35)19-41(31-37-39-42(38-31)11-12-43-3)20-27-16-26-6-4-5-22(2)29(26)36-30(27)40(17-23-7-8-23)18-24-9-10-24;1-20(2)28-7-5-6-25-15-26(30(36-29(25)28)41(16-22-8-9-22)17-23-10-11-23)19-42(31-37-39-40(4)38-31)18-24-12-21(3)13-27(14-24)32(33,34)35;1-18-4-9-23-12-24(28(38-27(23)19(18)2)43(14-20-5-6-20)15-21-7-8-21)17-44(29-39-41-42(3)40-29)16-22-10-25(30(32,33)34)13-26(11-22)31(35,36)37;1-20-12-24(14-27(13-20)31(32,33)34)18-40(30-36-38-41(37-30)10-11-42)19-26-15-25-5-3-4-21(2)28(25)35-29(26)39(16-22-6-7-22)17-23-8-9-23/h4-6,13-16,23-24H,7-12,17-20H2,1-3H3;5-7,12-15,20,22-23H,8-11,16-19H2,1-4H3;4,9-13,20-21H,5-8,14-17H2,1-3H3;3-5,12-15,22-23,42H,6-11,16-19H2,1-2H3.
What are the key properties of 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine?
2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine has a molecular weight of 2368.71 g/mol, XLogP of 26.31, 46 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol;N,N-bis(cyclopropylmethyl)-3-[[[2-(2-methoxyethyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-methylquinolin-2-amine;N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-7,8-dimethylquinolin-2-amine is sourced from PubChem (CID 159712689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).