N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

C143H135F6N15O12 — CID 159304651

About N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide (PubChem CID 159304651) has the molecular formula C143H135F6N15O12 and a molecular weight of 2369.73 g/mol. Its IUPAC name is N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
• PubChem CID: 159304651
• Molecular Formula: C143H135F6N15O12
• Molecular Weight: 2369.73 g/mol
• Exact Mass: 2368.03
• IUPAC Name: N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
• SMILES: C#Cc1c(F)cc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1F.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)c(OC)c1.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1C(F)(F)F.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1F.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1OC
• InChI: InChI=1S/C29H26F3N3O2.2C29H29N3O3.C28H25F2N3O2.C28H26FN3O2/c1-5-20-9-11-24(16-26(20)29(30,31)32)34-27-13-17(2)35(19(4)37)28-12-10-22(15-25(27)28)21-7-6-8-23(14-21)33-18(3)36;1-6-21-10-12-25(17-29(21)35-5)31-27-14-18(2)32(20(4)34)28-13-11-23(16-26(27)28)22-8-7-9-24(15-22)30-19(3)33;1-6-21-10-12-26(29(15-21)35-5)31-27-14-18(2)32(20(4)34)28-13-11-23(17-25(27)28)22-8-7-9-24(16-22)30-19(3)33;1-5-23-25(29)14-22(15-26(23)30)32-27-11-16(2)33(18(4)35)28-10-9-20(13-24(27)28)19-7-6-8-21(12-19)31-17(3)34;1-5-20-9-11-24(16-26(20)29)31-27-13-17(2)32(19(4)34)28-12-10-22(15-25(27)28)21-7-6-8-23(14-21)30-18(3)33/h1,6-12,14-17,27,34H,13H2,2-4H3,(H,33,36);2*1,7-13,15-18,27,31H,14H2,2-5H3,(H,30,33);1,6-10,12-16,27,32H,11H2,2-4H3,(H,31,34);1,6-12,14-17,27,31H,13H2,2-4H3,(H,30,33)/t17-,27+;2*18-,27+;16-,27+;17-,27+/m00000/s1
• InChIKey: LBTONQPNFOOSJB-BBYAOTIGSA-N
• XLogP: 29.41
• TPSA: 325.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2369.73
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

The IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide (CID 159304651) is N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide is C#Cc1c(F)cc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1F.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)c(OC)c1.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1C(F)(F)F.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1F.C#Cc1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1OC.

What is the InChIKey of N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

The InChIKey is LBTONQPNFOOSJB-BBYAOTIGSA-N. The full InChI is InChI=1S/C29H26F3N3O2.2C29H29N3O3.C28H25F2N3O2.C28H26FN3O2/c1-5-20-9-11-24(16-26(20)29(30,31)32)34-27-13-17(2)35(19(4)37)28-12-10-22(15-25(27)28)21-7-6-8-23(14-21)33-18(3)36;1-6-21-10-12-25(17-29(21)35-5)31-27-14-18(2)32(20(4)34)28-13-11-23(16-26(27)28)22-8-7-9-24(15-22)30-19(3)33;1-6-21-10-12-26(29(15-21)35-5)31-27-14-18(2)32(20(4)34)28-13-11-23(17-25(27)28)22-8-7-9-24(16-22)30-19(3)33;1-5-23-25(29)14-22(15-26(23)30)32-27-11-16(2)33(18(4)35)28-10-9-20(13-24(27)28)19-7-6-8-21(12-19)31-17(3)34;1-5-20-9-11-24(16-26(20)29)31-27-13-17(2)32(19(4)34)28-12-10-22(15-25(27)28)21-7-6-8-23(14-21)30-18(3)33/h1,6-12,14-17,27,34H,13H2,2-4H3,(H,33,36);2*1,7-13,15-18,27,31H,14H2,2-5H3,(H,30,33);1,6-10,12-16,27,32H,11H2,2-4H3,(H,31,34);1,6-12,14-17,27,31H,13H2,2-4H3,(H,30,33)/t17-,27+;2*18-,27+;16-,27+;17-,27+/m00000/s1.

What are the key properties of N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide?

N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide has a molecular weight of 2369.73 g/mol, XLogP of 29.41, 22 rotatable bonds, 10 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-ethynyl-3,5-difluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-2-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-(4-ethynyl-3-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-ethynyl-3-(trifluoromethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide is sourced from PubChem (CID 159304651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).