N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

C137H145F2N15O15 — CID 159825772

About N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate (PubChem CID 159825772) has the molecular formula C137H145F2N15O15 and a molecular weight of 2279.75 g/mol. Its IUPAC name is N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate.

Molecular Properties

• Compound Name: N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
• PubChem CID: 159825772
• Molecular Formula: C137H145F2N15O15
• Molecular Weight: 2279.75 g/mol
• Exact Mass: 2278.10
• IUPAC Name: N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
• SMILES: CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H](C)N3C(C)=O)c1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2cccc(C(C)(F)F)c2)C[C@H](C)N3C(C)=O)c1.COc1ccc(NC2CCN(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1.COc1cccc(NC2CCN(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)c1.COc1ccccc1NC1CCN(C(C)=O)c2ccc(-c3cccc(NC(C)=O)c3)cc21
• InChI: InChI=1S/C31H35N3O4.C28H29F2N3O2.3C26H27N3O3/c1-19-16-28(33-25-13-10-22(11-14-25)30(37)38-31(4,5)6)27-18-24(12-15-29(27)34(19)21(3)36)23-8-7-9-26(17-23)32-20(2)35;1-17-13-26(32-24-10-6-8-22(16-24)28(4,29)30)25-15-21(11-12-27(25)33(17)19(3)35)20-7-5-9-23(14-20)31-18(2)34;1-17(30)27-21-7-4-6-19(14-21)20-10-11-26-24(15-20)25(12-13-29(26)18(2)31)28-22-8-5-9-23(16-22)32-3;1-17(30)27-21-8-6-7-19(15-21)20-11-12-25-22(16-20)23(13-14-29(25)18(2)31)28-24-9-4-5-10-26(24)32-3;1-17(30)27-22-6-4-5-19(15-22)20-7-12-26-24(16-20)25(13-14-29(26)18(2)31)28-21-8-10-23(32-3)11-9-21/h7-15,17-19,28,33H,16H2,1-6H3,(H,32,35);5-12,14-17,26,32H,13H2,1-4H3,(H,31,34);4-11,14-16,25,28H,12-13H2,1-3H3,(H,27,30);4-12,15-16,23,28H,13-14H2,1-3H3,(H,27,30);4-12,15-16,25,28H,13-14H2,1-3H3,(H,27,30)/t19-,28+;17-,26+;;;/m00.../s1
• InChIKey: NMUSSTNJFWAGQN-GQJXTABLSA-N
• XLogP: 28.98
• TPSA: 361.19 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.75
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

The IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate (CID 159825772) is N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate.

What is the SMILES notation for N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

The canonical SMILES for N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate is CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC(C)(C)C)cc2)C[C@H](C)N3C(C)=O)c1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2cccc(C(C)(F)F)c2)C[C@H](C)N3C(C)=O)c1.COc1ccc(NC2CCN(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1.COc1cccc(NC2CCN(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)c1.COc1ccccc1NC1CCN(C(C)=O)c2ccc(-c3cccc(NC(C)=O)c3)cc21.

What is the InChIKey of N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

The InChIKey is NMUSSTNJFWAGQN-GQJXTABLSA-N. The full InChI is InChI=1S/C31H35N3O4.C28H29F2N3O2.3C26H27N3O3/c1-19-16-28(33-25-13-10-22(11-14-25)30(37)38-31(4,5)6)27-18-24(12-15-29(27)34(19)21(3)36)23-8-7-9-26(17-23)32-20(2)35;1-17-13-26(32-24-10-6-8-22(16-24)28(4,29)30)25-15-21(11-12-27(25)33(17)19(3)35)20-7-5-9-23(14-20)31-18(2)34;1-17(30)27-21-7-4-6-19(14-21)20-10-11-26-24(15-20)25(12-13-29(26)18(2)31)28-22-8-5-9-23(16-22)32-3;1-17(30)27-21-8-6-7-19(15-21)20-11-12-25-22(16-20)23(13-14-29(25)18(2)31)28-24-9-4-5-10-26(24)32-3;1-17(30)27-22-6-4-5-19(15-22)20-7-12-26-24(16-20)25(13-14-29(26)18(2)31)28-21-8-10-23(32-3)11-9-21/h7-15,17-19,28,33H,16H2,1-6H3,(H,32,35);5-12,14-17,26,32H,13H2,1-4H3,(H,31,34);4-11,14-16,25,28H,12-13H2,1-3H3,(H,27,30);4-12,15-16,23,28H,13-14H2,1-3H3,(H,27,30);4-12,15-16,25,28H,13-14H2,1-3H3,(H,27,30)/t19-,28+;17-,26+;;;/m00.../s1.

What are the key properties of N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate has a molecular weight of 2279.75 g/mol, XLogP of 28.98, 25 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S,4R)-1-acetyl-4-[3-(1,1-difluoroethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(2-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(3-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[1-acetyl-4-(4-methoxyanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;tert-butyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate is sourced from PubChem (CID 159825772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).