3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine

C134H168F6N30O2 — CID 159335703

IUPAC3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)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(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCN)n2)c1.Cc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCNC(=O)OC(C)(C)C)n2)c1.Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C(C)C)n3)c(N(CC3CC3)CC3CC3)nc12
InChIInChI=1S/C36H48N8O2.C35H45N7.C32H35F6N7.C31H40N8/c1-24-16-25(2)18-29(17-24)22-43(34-39-41-44(40-34)15-14-37-35(45)46-36(4,5)6)23-31-19-30-9-7-8-26(3)32(30)38-33(31)42(20-27-10-11-27)21-28-12-13-28;1-24-16-25(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;1-19(2)45-41-30(40-42-45)44(17-23-11-26(31(33,34)35)14-27(12-23)32(36,37)38)18-25-13-24-6-4-5-20(3)28(24)39-29(25)43(15-21-7-8-21)16-22-9-10-22;1-21-13-22(2)15-26(14-21)19-38(31-34-36-39(35-31)12-11-32)20-28-16-27-6-4-5-23(3)29(27)33-30(28)37(17-24-7-8-24)18-25-9-10-25/h7-9,16-19,27-28H,10-15,20-23H2,1-6H3,(H,37,45);7-9,16-19,27-28,32H,4-6,10-15,20-23H2,1-3H3;4-6,11-14,19,21-22H,7-10,15-18H2,1-3H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3
InChIKeyLFMSZNGIQLIOIX-UHFFFAOYSA-N
MW2345.01 g/mol
LogP26.91
Rot. Bonds47

About 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine

3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine (PubChem CID 159335703) has the molecular formula C134H168F6N30O2 and a molecular weight of 2345.01 g/mol. Its IUPAC name is 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine.

Molecular Properties

Compound Name3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine
PubChem CID159335703
Molecular FormulaC134H168F6N30O2
Molecular Weight2345.01 g/mol
Exact Mass2343.39
IUPAC Name3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)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(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCN)n2)c1.Cc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCNC(=O)OC(C)(C)C)n2)c1.Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C(C)C)n3)c(N(CC3CC3)CC3CC3)nc12
InChIInChI=1S/C36H48N8O2.C35H45N7.C32H35F6N7.C31H40N8/c1-24-16-25(2)18-29(17-24)22-43(34-39-41-44(40-34)15-14-37-35(45)46-36(4,5)6)23-31-19-30-9-7-8-26(3)32(30)38-33(31)42(20-27-10-11-27)21-28-12-13-28;1-24-16-25(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;1-19(2)45-41-30(40-42-45)44(17-23-11-26(31(33,34)35)14-27(12-23)32(36,37)38)18-25-13-24-6-4-5-20(3)28(24)39-29(25)43(15-21-7-8-21)16-22-9-10-22;1-21-13-22(2)15-26(14-21)19-38(31-34-36-39(35-31)12-11-32)20-28-16-27-6-4-5-23(3)29(27)33-30(28)37(17-24-7-8-24)18-25-9-10-25/h7-9,16-19,27-28H,10-15,20-23H2,1-6H3,(H,37,45);7-9,16-19,27-28,32H,4-6,10-15,20-23H2,1-3H3;4-6,11-14,19,21-22H,7-10,15-18H2,1-3H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3
InChIKeyLFMSZNGIQLIOIX-UHFFFAOYSA-N
XLogP26.91
TPSA316.23 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds47
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.01
LogP ≤ 526.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)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 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
The IUPAC name of 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine (CID 159335703) is 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine.
What is the SMILES notation for 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
The canonical SMILES for 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)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(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCN)n2)c1.Cc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CCNC(=O)OC(C)(C)C)n2)c1.Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C(C)C)n3)c(N(CC3CC3)CC3CC3)nc12.
What is the InChIKey of 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
The InChIKey is LFMSZNGIQLIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N8O2.C35H45N7.C32H35F6N7.C31H40N8/c1-24-16-25(2)18-29(17-24)22-43(34-39-41-44(40-34)15-14-37-35(45)46-36(4,5)6)23-31-19-30-9-7-8-26(3)32(30)38-33(31)42(20-27-10-11-27)21-28-12-13-28;1-24-16-25(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;1-19(2)45-41-30(40-42-45)44(17-23-11-26(31(33,34)35)14-27(12-23)32(36,37)38)18-25-13-24-6-4-5-20(3)28(24)39-29(25)43(15-21-7-8-21)16-22-9-10-22;1-21-13-22(2)15-26(14-21)19-38(31-34-36-39(35-31)12-11-32)20-28-16-27-6-4-5-23(3)29(27)33-30(28)37(17-24-7-8-24)18-25-9-10-25/h7-9,16-19,27-28H,10-15,20-23H2,1-6H3,(H,37,45);7-9,16-19,27-28,32H,4-6,10-15,20-23H2,1-3H3;4-6,11-14,19,21-22H,7-10,15-18H2,1-3H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3.
What are the key properties of 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine?
3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine has a molecular weight of 2345.01 g/mol, XLogP of 26.91, 47 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;tert-butyl N-[2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]ethyl]carbamate;3-[[(2-cyclohexyltetrazol-5-yl)-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine is sourced from PubChem (CID 159335703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).