1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C155H159F3N14O13 — CID 162000821

About 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 162000821) has the molecular formula C155H159F3N14O13 and a molecular weight of 2483.06 g/mol. Its IUPAC name is 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 162000821
• Molecular Formula: C155H159F3N14O13
• Molecular Weight: 2483.06 g/mol
• Exact Mass: 2481.22
• IUPAC Name: 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc3c(c2)OCO3)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2OC(F)(F)F)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cncnc2)C[C@@H]1C.CC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COC(=O)c1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21.COc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1
• InChI: InChI=1S/C27H28N2O3.C27H28N2O2.C26H25F3N2O2.C26H26N2O3.C26H28N2O2.C23H24N4O/c1-17-8-7-9-20(14-17)21-12-13-26-23(16-21)25(15-18(2)29(26)19(3)30)28-24-11-6-5-10-22(24)27(31)32-4;1-17-6-5-7-22(14-17)23-10-13-27-25(16-23)26(15-18(2)29(27)20(4)31)28-24-11-8-21(9-12-24)19(3)30;1-16-7-6-8-19(13-16)20-11-12-24-21(15-20)23(14-17(2)31(24)18(3)32)30-22-9-4-5-10-25(22)33-26(27,28)29;1-16-5-4-6-19(11-16)20-7-9-24-22(13-20)23(12-17(2)28(24)18(3)29)27-21-8-10-25-26(14-21)31-15-30-25;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;1-15-5-4-6-18(9-15)19-7-8-23-21(11-19)22(10-16(2)27(23)17(3)28)26-20-12-24-14-25-13-20/h5-14,16,18,25,28H,15H2,1-4H3;5-14,16,18,26,28H,15H2,1-4H3;4-13,15,17,23,30H,14H2,1-3H3;4-11,13-14,17,23,27H,12,15H2,1-3H3;5-14,16,18,25,27H,15H2,1-4H3;4-9,11-14,16,22,26H,10H2,1-3H3/t18-,25+;18-,26+;2*17-,23+;18-,25+;16-,22+/m000000/s1
• InChIKey: YSELZCZIFUFRKE-SKKOQUJESA-N
• XLogP: 35.18
• TPSA: 300.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.06
LogP ≤ 5	35.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 162000821) is 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccc3c(c2)OCO3)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2ccccc2OC(F)(F)F)C[C@@H]1C.CC(=O)N1c2ccc(-c3cccc(C)c3)cc2[C@H](Nc2cncnc2)C[C@@H]1C.CC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.COC(=O)c1ccccc1N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(-c3cccc(C)c3)cc21.COc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(C)c4)cc32)cc1.

What is the InChIKey of 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is YSELZCZIFUFRKE-SKKOQUJESA-N. The full InChI is InChI=1S/C27H28N2O3.C27H28N2O2.C26H25F3N2O2.C26H26N2O3.C26H28N2O2.C23H24N4O/c1-17-8-7-9-20(14-17)21-12-13-26-23(16-21)25(15-18(2)29(26)19(3)30)28-24-11-6-5-10-22(24)27(31)32-4;1-17-6-5-7-22(14-17)23-10-13-27-25(16-23)26(15-18(2)29(27)20(4)31)28-24-11-8-21(9-12-24)19(3)30;1-16-7-6-8-19(13-16)20-11-12-24-21(15-20)23(14-17(2)31(24)18(3)32)30-22-9-4-5-10-25(22)33-26(27,28)29;1-16-5-4-6-19(11-16)20-7-9-24-22(13-20)23(12-17(2)28(24)18(3)29)27-21-8-10-25-26(14-21)31-15-30-25;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;1-15-5-4-6-18(9-15)19-7-8-23-21(11-19)22(10-16(2)27(23)17(3)28)26-20-12-24-14-25-13-20/h5-14,16,18,25,28H,15H2,1-4H3;5-14,16,18,26,28H,15H2,1-4H3;4-13,15,17,23,30H,14H2,1-3H3;4-11,13-14,17,23,27H,12,15H2,1-3H3;5-14,16,18,25,27H,15H2,1-4H3;4-9,11-14,16,22,26H,10H2,1-3H3/t18-,25+;18-,26+;2*17-,23+;18-,25+;16-,22+/m000000/s1.

What are the key properties of 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 2483.06 g/mol, XLogP of 35.18, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-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;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 162000821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).