N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

C156H174F2N16O15 — CID 160872251

About N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide (PubChem CID 160872251) has the molecular formula C156H174F2N16O15 and a molecular weight of 2551.20 g/mol. Its IUPAC name is N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
• PubChem CID: 160872251
• Molecular Formula: C156H174F2N16O15
• Molecular Weight: 2551.20 g/mol
• Exact Mass: 2549.33
• IUPAC Name: N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
• SMILES: C=C(C)Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(=O)C5CC5)c4)cc32)cc1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(CC(=O)C4CCN(C)CC4)cc2)C[C@H](C)N3C(C)=O)c1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(CCC4CCOC4)cc2)C[C@H](C)N3C(C)=O)c1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(OC(C)(F)F)cc2)C[C@H](C)N3C(C)=O)c1.COCC(=O)Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1
• InChI: InChI=1S/C34H40N4O3.C32H37N3O3.C32H35N3O2.C30H33N3O4.C28H29F2N3O3/c1-22-18-32(36-29-11-8-25(9-12-29)19-34(41)26-14-16-37(4)17-15-26)31-21-28(10-13-33(31)38(22)24(3)40)27-6-5-7-30(20-27)35-23(2)39;1-21-17-31(34-28-12-9-24(10-13-28)7-8-25-15-16-38-20-25)30-19-27(11-14-32(30)35(21)23(3)37)26-5-4-6-29(18-26)33-22(2)36;1-20(2)16-23-8-13-27(14-9-23)33-30-17-21(3)35(22(4)36)31-15-12-26(19-29(30)31)25-6-5-7-28(18-25)34-32(37)24-10-11-24;1-19-14-29(32-25-11-8-22(9-12-25)15-27(36)18-37-4)28-17-24(10-13-30(28)33(19)21(3)35)23-6-5-7-26(16-23)31-20(2)34;1-17-14-26(32-22-9-11-24(12-10-22)36-28(4,29)30)25-16-21(8-13-27(25)33(17)19(3)35)20-6-5-7-23(15-20)31-18(2)34/h5-13,20-22,26,32,36H,14-19H2,1-4H3,(H,35,39);4-6,9-14,18-19,21,25,31,34H,7-8,15-17,20H2,1-3H3,(H,33,36);5-9,12-15,18-19,21,24,30,33H,1,10-11,16-17H2,2-4H3,(H,34,37);5-13,16-17,19,29,32H,14-15,18H2,1-4H3,(H,31,34);5-13,15-17,26,32H,14H2,1-4H3,(H,31,34)/t22-,32+;21-,25?,31+;21-,30+;19-,29+;17-,26+/m00000/s1
• InChIKey: SLXFSNUCNMOSGH-NEZLKXTBSA-N
• XLogP: 31.73
• TPSA: 372.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.20
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

The IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide (CID 160872251) is N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide is C=C(C)Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(=O)C5CC5)c4)cc32)cc1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(CC(=O)C4CCN(C)CC4)cc2)C[C@H](C)N3C(C)=O)c1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(CCC4CCOC4)cc2)C[C@H](C)N3C(C)=O)c1.CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(OC(C)(F)F)cc2)C[C@H](C)N3C(C)=O)c1.COCC(=O)Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1.

What is the InChIKey of N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

The InChIKey is SLXFSNUCNMOSGH-NEZLKXTBSA-N. The full InChI is InChI=1S/C34H40N4O3.C32H37N3O3.C32H35N3O2.C30H33N3O4.C28H29F2N3O3/c1-22-18-32(36-29-11-8-25(9-12-29)19-34(41)26-14-16-37(4)17-15-26)31-21-28(10-13-33(31)38(22)24(3)40)27-6-5-7-30(20-27)35-23(2)39;1-21-17-31(34-28-12-9-24(10-13-28)7-8-25-15-16-38-20-25)30-19-27(11-14-32(30)35(21)23(3)37)26-5-4-6-29(18-26)33-22(2)36;1-20(2)16-23-8-13-27(14-9-23)33-30-17-21(3)35(22(4)36)31-15-12-26(19-29(30)31)25-6-5-7-28(18-25)34-32(37)24-10-11-24;1-19-14-29(32-25-11-8-22(9-12-25)15-27(36)18-37-4)28-17-24(10-13-30(28)33(19)21(3)35)23-6-5-7-26(16-23)31-20(2)34;1-17-14-26(32-22-9-11-24(12-10-22)36-28(4,29)30)25-16-21(8-13-27(25)33(17)19(3)35)20-6-5-7-23(15-20)31-18(2)34/h5-13,20-22,26,32,36H,14-19H2,1-4H3,(H,35,39);4-6,9-14,18-19,21,25,31,34H,7-8,15-17,20H2,1-3H3,(H,33,36);5-9,12-15,18-19,21,24,30,33H,1,10-11,16-17H2,2-4H3,(H,34,37);5-13,16-17,19,29,32H,14-15,18H2,1-4H3,(H,31,34);5-13,15-17,26,32H,14H2,1-4H3,(H,31,34)/t22-,32+;21-,25?,31+;21-,30+;19-,29+;17-,26+/m00000/s1.

What are the key properties of N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide has a molecular weight of 2551.20 g/mol, XLogP of 31.73, 35 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide is sourced from PubChem (CID 160872251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).