6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile

C112H95ClF15N19O8S2 — CID 157097724

IUPAC6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile
SMILESCN(CCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(C#N)ccc2n1.CN(CCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(CN)ccc2n1.Cc1nc2sccn2c1C(=O)NCc1ccc2nc(N(C)CCc3ccc(OC(F)(F)F)cc3)ccc2c1.Cc1nc2sccn2c1C(=O)O.N#Cc1ccc2nc(NCCc3ccc(OC(F)(F)F)cc3)ccc2c1.NCCc1ccc(OC(F)(F)F)cc1.[C-]#[N+]c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C27H24F3N5O2S.C20H20F3N3O.C20H16F3N3O.C19H14F3N3O.C10H5ClN2.C9H10F3NO.C7H6N2O2S/c1-17-24(35-13-14-38-26(35)32-17)25(36)31-16-19-5-9-22-20(15-19)6-10-23(33-22)34(2)12-11-18-3-7-21(8-4-18)37-27(28,29)30;2*1-26(11-10-14-2-6-17(7-3-14)27-20(21,22)23)19-9-5-16-12-15(13-24)4-8-18(16)25-19;20-19(21,22)26-16-5-1-13(2-6-16)9-10-24-18-8-4-15-11-14(12-23)3-7-17(15)25-18;1-12-8-3-4-9-7(6-8)2-5-10(11)13-9;10-9(11,12)14-8-3-1-7(2-4-8)5-6-13;1-4-5(6(10)11)9-2-3-12-7(9)8-4/h3-10,13-15H,11-12,16H2,1-2H3,(H,31,36);2-9,12H,10-11,13,24H2,1H3;2-9,12H,10-11H2,1H3;1-8,11H,9-10H2,(H,24,25);2-6H;1-4H,5-6,13H2;2-3H,1H3,(H,10,11)
InChIKeyAFKAXSIOSJWGHS-UHFFFAOYSA-N
MW2219.67 g/mol
LogP26.30
Rot. Bonds28

About 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile

6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile (PubChem CID 157097724) has the molecular formula C112H95ClF15N19O8S2 and a molecular weight of 2219.67 g/mol. Its IUPAC name is 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile
PubChem CID157097724
Molecular FormulaC112H95ClF15N19O8S2
Molecular Weight2219.67 g/mol
Exact Mass2217.65
IUPAC Name6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile
SMILESCN(CCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(C#N)ccc2n1.CN(CCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(CN)ccc2n1.Cc1nc2sccn2c1C(=O)NCc1ccc2nc(N(C)CCc3ccc(OC(F)(F)F)cc3)ccc2c1.Cc1nc2sccn2c1C(=O)O.N#Cc1ccc2nc(NCCc3ccc(OC(F)(F)F)cc3)ccc2c1.NCCc1ccc(OC(F)(F)F)cc1.[C-]#[N+]c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C27H24F3N5O2S.C20H20F3N3O.C20H16F3N3O.C19H14F3N3O.C10H5ClN2.C9H10F3NO.C7H6N2O2S/c1-17-24(35-13-14-38-26(35)32-17)25(36)31-16-19-5-9-22-20(15-19)6-10-23(33-22)34(2)12-11-18-3-7-21(8-4-18)37-27(28,29)30;2*1-26(11-10-14-2-6-17(7-3-14)27-20(21,22)23)19-9-5-16-12-15(13-24)4-8-18(16)25-19;20-19(21,22)26-16-5-1-13(2-6-16)9-10-24-18-8-4-15-11-14(12-23)3-7-17(15)25-18;1-12-8-3-4-9-7(6-8)2-5-10(11)13-9;10-9(11,12)14-8-3-1-7(2-4-8)5-6-13;1-4-5(6(10)11)9-2-3-12-7(9)8-4/h3-10,13-15H,11-12,16H2,1-2H3,(H,31,36);2-9,12H,10-11,13,24H2,1H3;2-9,12H,10-11H2,1H3;1-8,11H,9-10H2,(H,24,25);2-6H;1-4H,5-6,13H2;2-3H,1H3,(H,10,11)
InChIKeyAFKAXSIOSJWGHS-UHFFFAOYSA-N
XLogP26.30
TPSA337.33 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.67
LogP ≤ 526.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile with MolForge

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Related Compounds

6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
CID 157223534
2-Chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;1-[4-(trifluoromethoxy)phenyl]piperazine;2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine
CID 160471840

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile?
The IUPAC name of 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile (CID 157097724) is 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile is CN(CCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(C#N)ccc2n1.CN(CCc1ccc(OC(F)(F)F)cc1)c1ccc2cc(CN)ccc2n1.Cc1nc2sccn2c1C(=O)NCc1ccc2nc(N(C)CCc3ccc(OC(F)(F)F)cc3)ccc2c1.Cc1nc2sccn2c1C(=O)O.N#Cc1ccc2nc(NCCc3ccc(OC(F)(F)F)cc3)ccc2c1.NCCc1ccc(OC(F)(F)F)cc1.[C-]#[N+]c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile?
The InChIKey is AFKAXSIOSJWGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2S.C20H20F3N3O.C20H16F3N3O.C19H14F3N3O.C10H5ClN2.C9H10F3NO.C7H6N2O2S/c1-17-24(35-13-14-38-26(35)32-17)25(36)31-16-19-5-9-22-20(15-19)6-10-23(33-22)34(2)12-11-18-3-7-21(8-4-18)37-27(28,29)30;2*1-26(11-10-14-2-6-17(7-3-14)27-20(21,22)23)19-9-5-16-12-15(13-24)4-8-18(16)25-19;20-19(21,22)26-16-5-1-13(2-6-16)9-10-24-18-8-4-15-11-14(12-23)3-7-17(15)25-18;1-12-8-3-4-9-7(6-8)2-5-10(11)13-9;10-9(11,12)14-8-3-1-7(2-4-8)5-6-13;1-4-5(6(10)11)9-2-3-12-7(9)8-4/h3-10,13-15H,11-12,16H2,1-2H3,(H,31,36);2-9,12H,10-11,13,24H2,1H3;2-9,12H,10-11H2,1H3;1-8,11H,9-10H2,(H,24,25);2-6H;1-4H,5-6,13H2;2-3H,1H3,(H,10,11).
What are the key properties of 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile?
6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile has a molecular weight of 2219.67 g/mol, XLogP of 26.30, 28 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 157097724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).