methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C121H136F3N9O16 — CID 160673419

About methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 160673419) has the molecular formula C121H136F3N9O16 and a molecular weight of 2029.46 g/mol. Its IUPAC name is methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 160673419
• Molecular Formula: C121H136F3N9O16
• Molecular Weight: 2029.46 g/mol
• Exact Mass: 2028.01
• IUPAC Name: methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CCCCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccccc2OC(F)(F)F)C[C@H](C)N3C(C)=O)c1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(OCCN5CCOCC5)c4)cc32)cc1
• InChI: InChI=1S/C32H37N3O5.C31H36N2O4.C30H34N2O4.C28H29F3N2O3/c1-22-19-30(33-27-10-7-24(8-11-27)32(37)38-3)29-21-26(9-12-31(29)35(22)23(2)36)25-5-4-6-28(20-25)40-18-15-34-13-16-39-17-14-34;1-5-6-7-17-37-27-10-8-9-24(19-27)25-13-16-30-28(20-25)29(18-21(2)33(30)22(3)34)32-26-14-11-23(12-15-26)31(35)36-4;1-5-6-16-36-26-9-7-8-23(18-26)24-12-15-29-27(19-24)28(17-20(2)32(29)21(3)33)31-25-13-10-22(11-14-25)30(34)35-4;1-4-14-35-22-9-7-8-20(16-22)21-12-13-26-23(17-21)25(15-18(2)33(26)19(3)34)32-24-10-5-6-11-27(24)36-28(29,30)31/h4-12,20-22,30,33H,13-19H2,1-3H3;8-16,19-21,29,32H,5-7,17-18H2,1-4H3;7-15,18-20,28,31H,5-6,16-17H2,1-4H3;5-13,16-18,25,32H,4,14-15H2,1-3H3/t22-,30+;21-,29+;20-,28+;18-,25+/m0000/s1
• InChIKey: RNFMPNZAXPKOTN-KCKVZCRASA-N
• XLogP: 26.11
• TPSA: 266.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.46
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 160673419) is methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCCCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccccc2OC(F)(F)F)C[C@H](C)N3C(C)=O)c1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(OCCN5CCOCC5)c4)cc32)cc1.

What is the InChIKey of methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is RNFMPNZAXPKOTN-KCKVZCRASA-N. The full InChI is InChI=1S/C32H37N3O5.C31H36N2O4.C30H34N2O4.C28H29F3N2O3/c1-22-19-30(33-27-10-7-24(8-11-27)32(37)38-3)29-21-26(9-12-31(29)35(22)23(2)36)25-5-4-6-28(20-25)40-18-15-34-13-16-39-17-14-34;1-5-6-7-17-37-27-10-8-9-24(19-27)25-13-16-30-28(20-25)29(18-21(2)33(30)22(3)34)32-26-14-11-23(12-15-26)31(35)36-4;1-5-6-16-36-26-9-7-8-23(18-26)24-12-15-29-27(19-24)28(17-20(2)32(29)21(3)33)31-25-13-10-22(11-14-25)30(34)35-4;1-4-14-35-22-9-7-8-20(16-22)21-12-13-26-23(17-21)25(15-18(2)33(26)19(3)34)32-24-10-5-6-11-27(24)36-28(29,30)31/h4-12,20-22,30,33H,13-19H2,1-3H3;8-16,19-21,29,32H,5-7,17-18H2,1-4H3;7-15,18-20,28,31H,5-6,16-17H2,1-4H3;5-13,16-18,25,32H,4,14-15H2,1-3H3/t22-,30+;21-,29+;20-,28+;18-,25+/m0000/s1.

What are the key properties of methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 2029.46 g/mol, XLogP of 26.11, 32 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(2-morpholin-4-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-pentoxyphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-propoxyphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 160673419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).