1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C₁₄₁H₁₅₂F₄N₁₂O₁₁ — CID 158326968

About 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 158326968) has the molecular formula C₁₄₁H₁₅₂F₄N₁₂O₁₁ and a molecular weight of 2266.83 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 158326968
• Molecular Formula: C₁₄₁H₁₅₂F₄N₁₂O₁₁
• Molecular Weight: 2266.83 g/mol
• Exact Mass: 2265.16
• IUPAC Name: 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2C(F)(F)F)C[C@@H]1C.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC5CCCC5)c4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NCC5CCCC5)c4)cc32)cc1.COc1cc(F)ccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21
• InChI: InChI=1S/C32H37N3O3.C31H35N3O3.C26H25F3N2O.C26H27FN2O2.C26H28N2O2/c1-21-17-30(34-27-14-11-24(12-15-27)32(37)38-3)29-19-26(13-16-31(29)35(21)22(2)36)25-9-6-10-28(18-25)33-20-23-7-4-5-8-23;1-20-17-29(33-26-14-11-22(12-15-26)31(36)37-3)28-19-24(13-16-30(28)34(20)21(2)35)23-7-6-10-27(18-23)32-25-8-4-5-9-25;1-16-7-6-8-19(13-16)20-11-12-25-21(15-20)24(14-17(2)31(25)18(3)32)30-23-10-5-4-9-22(23)26(27,28)29;1-16-6-5-7-19(12-16)20-8-11-25-22(14-20)24(13-17(2)29(25)18(3)30)28-23-10-9-21(27)15-26(23)31-4;1-17-8-7-9-20(14-17)21-12-13-25-22(16-21)24(15-18(2)28(25)19(3)29)27-23-10-5-6-11-26(23)30-4/h6,9-16,18-19,21,23,30,33-34H,4-5,7-8,17,20H2,1-3H3;6-7,10-16,18-20,25,29,32-33H,4-5,8-9,17H2,1-3H3;4-13,15,17,24,30H,14H2,1-3H3;5-12,14-15,17,24,28H,13H2,1-4H3;5-14,16,18,24,27H,15H2,1-4H3/t21-,30+;20-,29+;2*17-,24+;18-,24+/m00000/s1
• InChIKey: GPNLAQRNARWTRQ-IFSLULDISA-N
• XLogP: 32.89
• TPSA: 256.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.83
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 158326968) is 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2C(F)(F)F)C[C@@H]1C.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC5CCCC5)c4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NCC5CCCC5)c4)cc32)cc1.COc1cc(F)ccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21.COc1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21.

What is the InChIKey of 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is GPNLAQRNARWTRQ-IFSLULDISA-N. The full InChI is InChI=1S/C32H37N3O3.C31H35N3O3.C26H25F3N2O.C26H27FN2O2.C26H28N2O2/c1-21-17-30(34-27-14-11-24(12-15-27)32(37)38-3)29-19-26(13-16-31(29)35(21)22(2)36)25-9-6-10-28(18-25)33-20-23-7-4-5-8-23;1-20-17-29(33-26-14-11-22(12-15-26)31(36)37-3)28-19-24(13-16-30(28)34(20)21(2)35)23-7-6-10-27(18-23)32-25-8-4-5-9-25;1-16-7-6-8-19(13-16)20-11-12-25-21(15-20)24(14-17(2)31(25)18(3)32)30-23-10-5-4-9-22(23)26(27,28)29;1-16-6-5-7-19(12-16)20-8-11-25-22(14-20)24(13-17(2)29(25)18(3)30)28-23-10-9-21(27)15-26(23)31-4;1-17-8-7-9-20(14-17)21-12-13-25-22(16-21)24(15-18(2)28(25)19(3)29)27-23-10-5-6-11-26(23)30-4/h6,9-16,18-19,21,23,30,33-34H,4-5,7-8,17,20H2,1-3H3;6-7,10-16,18-20,25,29,32-33H,4-5,8-9,17H2,1-3H3;4-13,15,17,24,30H,14H2,1-3H3;5-12,14-15,17,24,28H,13H2,1-4H3;5-14,16,18,24,27H,15H2,1-4H3/t21-,30+;20-,29+;2*17-,24+;18-,24+/m00000/s1.

What are the key properties of 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 2266.83 g/mol, XLogP of 32.89, 24 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 158326968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158326968 — identifiers, structure, computed properties (public domain)

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