1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C131H140F3N11O8 — CID 160977942

About 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 160977942) has the molecular formula C131H140F3N11O8 and a molecular weight of 2053.62 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 160977942
• Molecular Formula: C131H140F3N11O8
• Molecular Weight: 2053.62 g/mol
• Exact Mass: 2052.08
• IUPAC Name: 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cccc(OC(F)(F)F)c2)C[C@@H]1C.CNCc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1
• InChI: InChI=1S/C27H31N3O.C26H25F3N2O2.2C26H28N2O2.C26H28N2O/c1-18-6-5-7-22(14-18)23-10-13-27-25(16-23)26(15-19(2)30(27)20(3)31)29-24-11-8-21(9-12-24)17-28-4;1-16-6-4-7-19(12-16)20-10-11-25-23(14-20)24(13-17(2)31(25)18(3)32)30-21-8-5-9-22(15-21)33-26(27,28)29;1-17-7-5-8-20(13-17)21-11-12-26-24(15-21)25(14-18(2)28(26)19(3)29)27-22-9-6-10-23(16-22)30-4;1-17-6-5-7-20(14-17)21-8-13-26-24(16-21)25(15-18(2)28(26)19(3)29)27-22-9-11-23(30-4)12-10-22;1-17-8-11-23(12-9-17)27-25-15-19(3)28(20(4)29)26-13-10-22(16-24(25)26)21-7-5-6-18(2)14-21/h5-14,16,19,26,28-29H,15,17H2,1-4H3;4-12,14-15,17,24,30H,13H2,1-3H3;5-13,15-16,18,25,27H,14H2,1-4H3;5-14,16,18,25,27H,15H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3/t19-,26+;17-,24+;2*18-,25+;19-,25+/m00000/s1
• InChIKey: SZCVJEZKCFOFEF-LLWKTHTPSA-N
• XLogP: 30.75
• TPSA: 201.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2053.62
LogP ≤ 5	30.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 160977942) is 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cccc(OC(F)(F)F)c2)C[C@@H]1C.CNCc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)c1.

What is the InChIKey of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is SZCVJEZKCFOFEF-LLWKTHTPSA-N. The full InChI is InChI=1S/C27H31N3O.C26H25F3N2O2.2C26H28N2O2.C26H28N2O/c1-18-6-5-7-22(14-18)23-10-13-27-25(16-23)26(15-19(2)30(27)20(3)31)29-24-11-8-21(9-12-24)17-28-4;1-16-6-4-7-19(12-16)20-10-11-25-23(14-20)24(13-17(2)31(25)18(3)32)30-21-8-5-9-22(15-21)33-26(27,28)29;1-17-7-5-8-20(13-17)21-11-12-26-24(15-21)25(14-18(2)28(26)19(3)29)27-22-9-6-10-23(16-22)30-4;1-17-6-5-7-20(14-17)21-8-13-26-24(16-21)25(15-18(2)28(26)19(3)29)27-22-9-11-23(30-4)12-10-22;1-17-8-11-23(12-9-17)27-25-15-19(3)28(20(4)29)26-13-10-22(16-24(25)26)21-7-5-6-18(2)14-21/h5-14,16,19,26,28-29H,15,17H2,1-4H3;4-12,14-15,17,24,30H,13H2,1-3H3;5-13,15-16,18,25,27H,14H2,1-4H3;5-14,16,18,25,27H,15H2,1-4H3;5-14,16,19,25,27H,15H2,1-4H3/t19-,26+;17-,24+;2*18-,25+;19-,25+/m00000/s1.

What are the key properties of 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 2053.62 g/mol, XLogP of 30.75, 20 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4R)-4-(3-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-[4-(methylaminomethyl)anilino]-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-4-(4-methylanilino)-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[3-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 160977942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).