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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C109H111F5N12O9 — CID 157390760

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 157390760) has the molecular formula C109H111F5N12O9 and a molecular weight of 1828.15 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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 157390760
• Molecular Formula: C109H111F5N12O9
• Molecular Weight: 1828.15 g/mol
• Exact Mass: 1826.85
• 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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NCCC(F)(F)F)c4)cc32)cc1.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
• InChI: InChI=1S/C29H28F3N3O.C28H29F2N3O2.2C26H27N3O3/c1-4-21-8-11-24(12-9-21)34-27-16-19(2)35(20(3)36)28-13-10-23(18-26(27)28)22-6-5-7-25(17-22)33-15-14-29(30,31)32;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)27-22-6-4-5-19(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/h1,5-13,17-19,27,33-34H,14-16H2,2-3H3;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);4-12,15-16,25,28H,13-14H2,1-3H3,(H,27,30)/t19-,27+;17-,26+;;/m00../s1
• InChIKey: BLYYYNITBNLWQY-KZDNNLMJSA-N
• XLogP: 24.18
• TPSA: 247.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.15
LogP ≤ 5	24.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 157390760) 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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NCCC(F)(F)F)c4)cc32)cc1.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.

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is BLYYYNITBNLWQY-KZDNNLMJSA-N. The full InChI is InChI=1S/C29H28F3N3O.C28H29F2N3O2.2C26H27N3O3/c1-4-21-8-11-24(12-9-21)34-27-16-19(2)35(20(3)36)28-13-10-23(18-26(27)28)22-6-5-7-25(17-22)33-15-14-29(30,31)32;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)27-22-6-4-5-19(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/h1,5-13,17-19,27,33-34H,14-16H2,2-3H3;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);4-12,15-16,25,28H,13-14H2,1-3H3,(H,27,30)/t19-,27+;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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 1828.15 g/mol, XLogP of 24.18, 21 rotatable bonds, 8 hydrogen bond donors, and 14 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-(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;1-[(2S,4R)-4-(4-ethynylanilino)-2-methyl-6-[3-(3,3,3-trifluoropropylamino)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 157390760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).