N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine

C153H176F15N27O2 — CID 160745382

IUPACN,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine
SMILESCCN(CC1CCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1cc(C)on1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C1=NCC(C)O1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)Cc1nnnn1C.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1ncccn1.CCc1cccc2cc(CN(Cc3cc(C)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc12
InChIInChI=1S/C31H36F3N7.C31H34F3N5.C31H37F3N4O.C30H36F3N7.C30H33F3N4O/c1-4-24-6-5-7-25-15-26(29(35-28(24)25)40(16-21-8-9-21)17-22-10-11-22)19-41(30-36-38-39(3)37-30)18-23-12-20(2)13-27(14-23)31(32,33)34;1-3-38(19-23-9-4-5-10-23)29-26(18-25-11-6-7-12-28(25)37-29)21-39(30-35-13-8-14-36-30)20-24-15-22(2)16-27(17-24)31(32,33)34;1-4-37(18-23-9-5-6-10-23)29-26(16-25-11-7-8-12-28(25)36-29)20-38(30-35-17-22(3)39-30)19-24-13-21(2)14-27(15-24)31(32,33)34;1-4-40(18-22-9-5-6-10-22)29-25(16-24-11-7-8-12-27(24)34-29)19-39(20-28-35-36-37-38(28)3)17-23-13-21(2)14-26(15-23)30(31,32)33;1-4-36(17-22-8-7-9-22)29-25(16-24-10-5-6-11-27(24)34-29)19-37(28-14-21(3)38-35-28)18-23-12-20(2)13-26(15-23)30(31,32)33/h5-7,12-15,21-22H,4,8-11,16-19H2,1-3H3;6-8,11-18,23H,3-5,9-10,19-21H2,1-2H3;7-8,11-16,22-23H,4-6,9-10,17-20H2,1-3H3;7-8,11-16,22H,4-6,9-10,17-20H2,1-3H3;5-6,10-16,22H,4,7-9,17-19H2,1-3H3
InChIKeyRWDAAEUVETZAFG-UHFFFAOYSA-N
MW2710.25 g/mol
LogP35.41
Rot. Bonds47

About N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine

N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine (PubChem CID 160745382) has the molecular formula C153H176F15N27O2 and a molecular weight of 2710.25 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine
PubChem CID160745382
Molecular FormulaC153H176F15N27O2
Molecular Weight2710.25 g/mol
Exact Mass2708.43
IUPAC NameN,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine
SMILESCCN(CC1CCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1cc(C)on1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C1=NCC(C)O1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)Cc1nnnn1C.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1ncccn1.CCc1cccc2cc(CN(Cc3cc(C)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc12
InChIInChI=1S/C31H36F3N7.C31H34F3N5.C31H37F3N4O.C30H36F3N7.C30H33F3N4O/c1-4-24-6-5-7-25-15-26(29(35-28(24)25)40(16-21-8-9-21)17-22-10-11-22)19-41(30-36-38-39(3)37-30)18-23-12-20(2)13-27(14-23)31(32,33)34;1-3-38(19-23-9-4-5-10-23)29-26(18-25-11-6-7-12-28(25)37-29)21-39(30-35-13-8-14-36-30)20-24-15-22(2)16-27(17-24)31(32,33)34;1-4-37(18-23-9-5-6-10-23)29-26(16-25-11-7-8-12-28(25)36-29)20-38(30-35-17-22(3)39-30)19-24-13-21(2)14-27(15-24)31(32,33)34;1-4-40(18-22-9-5-6-10-22)29-25(16-24-11-7-8-12-27(24)34-29)19-39(20-28-35-36-37-38(28)3)17-23-13-21(2)14-26(15-23)30(31,32)33;1-4-36(17-22-8-7-9-22)29-25(16-24-10-5-6-11-27(24)34-29)19-37(28-14-21(3)38-35-28)18-23-12-20(2)13-26(15-23)30(31,32)33/h5-7,12-15,21-22H,4,8-11,16-19H2,1-3H3;6-8,11-18,23H,3-5,9-10,19-21H2,1-2H3;7-8,11-16,22-23H,4-6,9-10,17-20H2,1-3H3;7-8,11-16,22H,4-6,9-10,17-20H2,1-3H3;5-6,10-16,22H,4,7-9,17-19H2,1-3H3
InChIKeyRWDAAEUVETZAFG-UHFFFAOYSA-N
XLogP35.41
TPSA257.45 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002710.25
LogP ≤ 535.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine with MolForge

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Related Compounds

N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane
CID 159575165
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 58689745
N-[[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]amino]pyrimidin-5-yl]cyclopropyl]methyl]-3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopropylmethyl)-8-methylquinolin-2-amine
CID 123476101
8-chloro-N,N-bis(cyclopropylmethyl)-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine
CID 90145753
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-7-bromo-N-(cyclopentylmethyl)-N-ethylquinolin-2-amine
CID 24831211
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine
CID 157114043
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 11699832
ethyl 2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]acetate
CID 118642712
N-[[2-[cyclohexylmethyl(ethyl)amino]-5-(trifluoromethoxy)phenyl]methyl]-2-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 87792604
N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine
CID 118642728
2-[5-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]tetrazol-2-yl]ethanol
CID 23729469
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-7-bromo-N-(cyclopentylmethyl)-N-ethylquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-2-[cyclopentylmethyl(ethyl)amino]quinoline-7-carbonitrile
CID 161094494

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine (CID 160745382) is N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine is CCN(CC1CCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1cc(C)on1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)C1=NCC(C)O1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)Cc1nnnn1C.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)c1ncccn1.CCc1cccc2cc(CN(Cc3cc(C)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc12.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine?
The InChIKey is RWDAAEUVETZAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N7.C31H34F3N5.C31H37F3N4O.C30H36F3N7.C30H33F3N4O/c1-4-24-6-5-7-25-15-26(29(35-28(24)25)40(16-21-8-9-21)17-22-10-11-22)19-41(30-36-38-39(3)37-30)18-23-12-20(2)13-27(14-23)31(32,33)34;1-3-38(19-23-9-4-5-10-23)29-26(18-25-11-6-7-12-28(25)37-29)21-39(30-35-13-8-14-36-30)20-24-15-22(2)16-27(17-24)31(32,33)34;1-4-37(18-23-9-5-6-10-23)29-26(16-25-11-7-8-12-28(25)36-29)20-38(30-35-17-22(3)39-30)19-24-13-21(2)14-27(15-24)31(32,33)34;1-4-40(18-22-9-5-6-10-22)29-25(16-24-11-7-8-12-27(24)34-29)19-39(20-28-35-36-37-38(28)3)17-23-13-21(2)14-26(15-23)30(31,32)33;1-4-36(17-22-8-7-9-22)29-25(16-24-10-5-6-11-27(24)34-29)19-37(28-14-21(3)38-35-28)18-23-12-20(2)13-26(15-23)30(31,32)33/h5-7,12-15,21-22H,4,8-11,16-19H2,1-3H3;6-8,11-18,23H,3-5,9-10,19-21H2,1-2H3;7-8,11-16,22-23H,4-6,9-10,17-20H2,1-3H3;7-8,11-16,22H,4-6,9-10,17-20H2,1-3H3;5-6,10-16,22H,4,7-9,17-19H2,1-3H3.
What are the key properties of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine?
N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine has a molecular weight of 2710.25 g/mol, XLogP of 35.41, 47 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-[[2-[cyclobutylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine;N-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl]-5-methyl-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;N-(cyclopentylmethyl)-N-ethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-pyrimidin-2-ylamino]methyl]quinolin-2-amine is sourced from PubChem (CID 160745382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).