4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C112H112Cl3F4N11O11 — CID 161203153

About 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 161203153) has the molecular formula C112H112Cl3F4N11O11 and a molecular weight of 1970.54 g/mol. Its IUPAC name is 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

• Compound Name: 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
• PubChem CID: 161203153
• Molecular Formula: C112H112Cl3F4N11O11
• Molecular Weight: 1970.54 g/mol
• Exact Mass: 1967.75
• IUPAC Name: 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
• SMILES: CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(N(C)C)cc2)c2ccccc21.CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCCC(N)=O)cc2)c2ccccc21.CCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2cc(C(F)(F)F)ccc21.CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)OCCN3C)c2ccccc21
• InChI: InChI=1S/C29H30ClN3O4.C29H31N3O3.C27H23ClF4N2O2.C27H28ClN3O2/c1-19-18-27(33(20(2)34)23-13-11-22(30)12-14-23)25-6-3-4-7-26(25)32(19)29(36)21-9-15-24(16-10-21)37-17-5-8-28(31)35;1-4-28(33)32(22-10-6-5-7-11-22)26-18-20(2)31(24-13-9-8-12-23(24)26)29(34)21-14-15-25-27(19-21)35-17-16-30(25)3;1-3-25(35)34(21-11-7-19(28)8-12-21)23-14-16(2)33(26(36)17-4-9-20(29)10-5-17)24-15-18(27(30,31)32)6-13-22(23)24;1-18-17-26(31(19(2)32)23-15-11-21(28)12-16-23)24-7-5-6-8-25(24)30(18)27(33)20-9-13-22(14-10-20)29(3)4/h3-4,6-7,9-16,19,27H,5,8,17-18H2,1-2H3,(H2,31,35);5-15,19-20,26H,4,16-18H2,1-3H3;4-13,15-16,23H,3,14H2,1-2H3;5-16,18,26H,17H2,1-4H3/t19-,27+;20-,26+;16-,23+;18-,26+/m0000/s1
• InChIKey: UVGFCTBHBCISDG-LVPLDNLESA-N
• XLogP: 24.32
• TPSA: 230.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.54
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?

The IUPAC name of 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 161203153) is 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

What is the SMILES notation for 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?

The canonical SMILES for 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(N(C)C)cc2)c2ccccc21.CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCCC(N)=O)cc2)c2ccccc21.CCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2cc(C(F)(F)F)ccc21.CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)OCCN3C)c2ccccc21.

What is the InChIKey of 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?

The InChIKey is UVGFCTBHBCISDG-LVPLDNLESA-N. The full InChI is InChI=1S/C29H30ClN3O4.C29H31N3O3.C27H23ClF4N2O2.C27H28ClN3O2/c1-19-18-27(33(20(2)34)23-13-11-22(30)12-14-23)25-6-3-4-7-26(25)32(19)29(36)21-9-15-24(16-10-21)37-17-5-8-28(31)35;1-4-28(33)32(22-10-6-5-7-11-22)26-18-20(2)31(24-13-9-8-12-23(24)26)29(34)21-14-15-25-27(19-21)35-17-16-30(25)3;1-3-25(35)34(21-11-7-19(28)8-12-21)23-14-16(2)33(26(36)17-4-9-20(29)10-5-17)24-15-18(27(30,31)32)6-13-22(23)24;1-18-17-26(31(19(2)32)23-15-11-21(28)12-16-23)24-7-5-6-8-25(24)30(18)27(33)20-9-13-22(14-10-20)29(3)4/h3-4,6-7,9-16,19,27H,5,8,17-18H2,1-2H3,(H2,31,35);5-15,19-20,26H,4,16-18H2,1-3H3;4-13,15-16,23H,3,14H2,1-2H3;5-16,18,26H,17H2,1-4H3/t19-,27+;20-,26+;16-,23+;18-,26+/m0000/s1.

What are the key properties of 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?

4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 1970.54 g/mol, XLogP of 24.32, 20 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 161203153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).