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-(dimethylamino)-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

C125H140F2N14O11 — CID 158617186

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-(dimethylamino)-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-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-(dimethylamino)-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 (PubChem CID 158617186) has the molecular formula C125H140F2N14O11 and a molecular weight of 2052.58 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-(dimethylamino)-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.

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-(dimethylamino)-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
• PubChem CID: 158617186
• Molecular Formula: C125H140F2N14O11
• Molecular Weight: 2052.58 g/mol
• Exact Mass: 2051.08
• 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-(dimethylamino)-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
• 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(CC(=O)CN(C)C)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
• InChI: InChI=1S/C34H40N4O3.C32H35N3O2.C31H36N4O3.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;1-20(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;1-20-15-30(33-26-12-9-23(10-13-26)16-28(38)19-34(4)5)29-18-25(11-14-31(29)35(20)22(3)37)24-7-6-8-27(17-24)32-21(2)36;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);5-9,12-15,18-19,21,24,30,33H,1,10-11,16-17H2,2-4H3,(H,34,37);6-14,17-18,20,30,33H,15-16,19H2,1-5H3,(H,32,36);5-13,15-17,26,32H,14H2,1-4H3,(H,31,34)/t22-,32+;21-,30+;20-,30+;17-,26+/m0000/s1
• InChIKey: HXNPOCQYKREJJM-QFZYFBQXSA-N
• XLogP: 25.07
• TPSA: 295.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.58
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

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-(dimethylamino)-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?

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-(dimethylamino)-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 (CID 158617186) 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-(dimethylamino)-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.

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-(dimethylamino)-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?

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-(dimethylamino)-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 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(CC(=O)CN(C)C)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.

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-(dimethylamino)-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?

The InChIKey is HXNPOCQYKREJJM-QFZYFBQXSA-N. The full InChI is InChI=1S/C34H40N4O3.C32H35N3O2.C31H36N4O3.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;1-20(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;1-20-15-30(33-26-12-9-23(10-13-26)16-28(38)19-34(4)5)29-18-25(11-14-31(29)35(20)22(3)37)24-7-6-8-27(17-24)32-21(2)36;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);5-9,12-15,18-19,21,24,30,33H,1,10-11,16-17H2,2-4H3,(H,34,37);6-14,17-18,20,30,33H,15-16,19H2,1-5H3,(H,32,36);5-13,15-17,26,32H,14H2,1-4H3,(H,31,34)/t22-,32+;21-,30+;20-,30+;17-,26+/m0000/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-(dimethylamino)-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-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-(dimethylamino)-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 has a molecular weight of 2052.58 g/mol, XLogP of 25.07, 28 rotatable bonds, 8 hydrogen bond donors, and 17 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-(dimethylamino)-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 is sourced from PubChem (CID 158617186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).