3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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

C131H167F3N30O3 — CID 161252934

IUPAC3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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
SMILESCc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CC(C)O)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.C32H38F3N7.C32H41N7O.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;1-20(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;1-21-12-22(2)14-27(13-21)19-38(32-34-36-39(35-32)16-24(4)40)20-29-15-28-7-5-6-23(3)30(28)33-31(29)37(17-25-8-9-25)18-26-10-11-26;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);5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3;5-7,12-15,24-26,40H,8-11,16-20H2,1-4H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3
InChIKeyVBMZEOBCAQFDMA-UHFFFAOYSA-N
MW2266.98 g/mol
LogP24.07
Rot. Bonds48

About 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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 (PubChem CID 161252934) has the molecular formula C131H167F3N30O3 and a molecular weight of 2266.98 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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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.

Molecular Properties

Compound Name3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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
PubChem CID161252934
Molecular FormulaC131H167F3N30O3
Molecular Weight2266.98 g/mol
Exact Mass2265.38
IUPAC Name3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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
SMILESCc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CC(C)O)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.C32H38F3N7.C32H41N7O.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;1-20(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;1-21-12-22(2)14-27(13-21)19-38(32-34-36-39(35-32)16-24(4)40)20-29-15-28-7-5-6-23(3)30(28)33-31(29)37(17-25-8-9-25)18-26-10-11-26;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);5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3;5-7,12-15,24-26,40H,8-11,16-20H2,1-4H3;4-6,13-16,24-25H,7-12,17-20,32H2,1-3H3
InChIKeyVBMZEOBCAQFDMA-UHFFFAOYSA-N
XLogP24.07
TPSA336.46 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.98
LogP ≤ 524.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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 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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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?
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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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 (CID 161252934) is 3-[[[2-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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.
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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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?
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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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 is Cc1cc(C)cc(CN(Cc2cc3cccc(C)c3nc2N(CC2CC2)CC2CC2)c2nnn(CC(C)O)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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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?
The InChIKey is VBMZEOBCAQFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N8O2.C32H38F3N7.C32H41N7O.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;1-20(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;1-21-12-22(2)14-27(13-21)19-38(32-34-36-39(35-32)16-24(4)40)20-29-15-28-7-5-6-23(3)30(28)33-31(29)37(17-25-8-9-25)18-26-10-11-26;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);5-7,12-15,20,23-24H,8-11,16-19H2,1-4H3;5-7,12-15,24-26,40H,8-11,16-20H2,1-4H3;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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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-(2-aminoethyl)tetrazol-5-yl]-[(3,5-dimethylphenyl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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 has a molecular weight of 2266.98 g/mol, XLogP of 24.07, 48 rotatable bonds, 3 hydrogen bond donors, and 32 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;1-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[(3,5-dimethylphenyl)methyl]amino]tetrazol-2-yl]propan-2-ol;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 is sourced from PubChem (CID 161252934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).