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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine

C121H148F6N28O3 — CID 157416689

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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine
SMILESCCN(C[C@@H]1CCCO1)c1nc2c(C)cccc2cc1CN(Cc1cc(C)cc(C)c1)c1nnn(C)n1.CCN(C[C@H]1CCCO1)c1nc2c(C)cccc2cc1CN(Cc1cc(C)cc(C)c1)c1nnn(C)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
InChIInChI=1S/C32H38F3N7.C31H36F3N7O.2C29H37N7O/c1-20(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;1-20-12-24(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;2*1-6-35(19-26-11-8-12-37-26)28-25(16-24-10-7-9-22(4)27(24)30-28)18-36(29-31-33-34(5)32-29)17-23-14-20(2)13-21(3)15-23/h5-7,12-15,20,22-23H,8-11,16-19H2,1-4H3;3-5,12-15,22-23,42H,6-11,16-19H2,1-2H3;2*7,9-10,13-16,26H,6,8,11-12,17-19H2,1-5H3/t;;2*26-/m..10/s1
InChIKeyBOXUSAMPWFDKLB-DKGRPSJQSA-N
MW2156.70 g/mol
LogP22.52
Rot. Bonds41

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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine (PubChem CID 157416689) has the molecular formula C121H148F6N28O3 and a molecular weight of 2156.70 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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine
PubChem CID157416689
Molecular FormulaC121H148F6N28O3
Molecular Weight2156.70 g/mol
Exact Mass2155.22
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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine
SMILESCCN(C[C@@H]1CCCO1)c1nc2c(C)cccc2cc1CN(Cc1cc(C)cc(C)c1)c1nnn(C)n1.CCN(C[C@H]1CCCO1)c1nc2c(C)cccc2cc1CN(Cc1cc(C)cc(C)c1)c1nnn(C)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
InChIInChI=1S/C32H38F3N7.C31H36F3N7O.2C29H37N7O/c1-20(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;1-20-12-24(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;2*1-6-35(19-26-11-8-12-37-26)28-25(16-24-10-7-9-22(4)27(24)30-28)18-36(29-31-33-34(5)32-29)17-23-14-20(2)13-21(3)15-23/h5-7,12-15,20,22-23H,8-11,16-19H2,1-4H3;3-5,12-15,22-23,42H,6-11,16-19H2,1-2H3;2*7,9-10,13-16,26H,6,8,11-12,17-19H2,1-5H3/t;;2*26-/m..10/s1
InChIKeyBOXUSAMPWFDKLB-DKGRPSJQSA-N
XLogP22.52
TPSA290.57 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.70
LogP ≤ 522.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine (CID 157416689) 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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine is CCN(C[C@@H]1CCCO1)c1nc2c(C)cccc2cc1CN(Cc1cc(C)cc(C)c1)c1nnn(C)n1.CCN(C[C@H]1CCCO1)c1nc2c(C)cccc2cc1CN(Cc1cc(C)cc(C)c1)c1nnn(C)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.
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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine?
The InChIKey is BOXUSAMPWFDKLB-DKGRPSJQSA-N. The full InChI is InChI=1S/C32H38F3N7.C31H36F3N7O.2C29H37N7O/c1-20(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;1-20-12-24(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;2*1-6-35(19-26-11-8-12-37-26)28-25(16-24-10-7-9-22(4)27(24)30-28)18-36(29-31-33-34(5)32-29)17-23-14-20(2)13-21(3)15-23/h5-7,12-15,20,22-23H,8-11,16-19H2,1-4H3;3-5,12-15,22-23,42H,6-11,16-19H2,1-2H3;2*7,9-10,13-16,26H,6,8,11-12,17-19H2,1-5H3/t;;2*26-/m..10/s1.
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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine has a molecular weight of 2156.70 g/mol, XLogP of 22.52, 41 rotatable bonds, 1 hydrogen bond donors, and 31 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-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-8-propan-2-ylquinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]quinolin-2-amine;3-[[(3,5-dimethylphenyl)methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinolin-2-amine is sourced from PubChem (CID 157416689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).