3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-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;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

C134H171F3N30O2 — CID 157218272

IUPAC3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-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;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.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H48N8O2.C35H45N7.C32H38F3N7.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;1-20(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;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;5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3
InChIKeyASRFRMWVVKRXGZ-UHFFFAOYSA-N
MW2291.04 g/mol
LogP26.20
Rot. Bonds47

About 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-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;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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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 157218272) has the molecular formula C134H171F3N30O2 and a molecular weight of 2291.04 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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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 CID157218272
Molecular FormulaC134H171F3N30O2
Molecular Weight2291.04 g/mol
Exact Mass2289.42
IUPAC Name3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-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;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.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C36H48N8O2.C35H45N7.C32H38F3N7.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;1-20(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;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;5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3
InChIKeyASRFRMWVVKRXGZ-UHFFFAOYSA-N
XLogP26.20
TPSA316.23 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds47
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.04
LogP ≤ 526.20
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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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 157218272) is 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-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;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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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.Cc1cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1.
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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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 ASRFRMWVVKRXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N8O2.C35H45N7.C32H38F3N7.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;1-20(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;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;5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3;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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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 2291.04 g/mol, XLogP of 26.20, 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;N,N-bis(cyclopropylmethyl)-8-methyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]quinolin-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 157218272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).