1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one

C158H164ClN17O19 — CID 159088896

About 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one

1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one (PubChem CID 159088896) has the molecular formula C158H164ClN17O19 and a molecular weight of 2640.60 g/mol. Its IUPAC name is 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one
• PubChem CID: 159088896
• Molecular Formula: C158H164ClN17O19
• Molecular Weight: 2640.60 g/mol
• Exact Mass: 2638.21
• IUPAC Name: 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one
• SMILES: CC(=O)Cc1cc2c(cc1OCCc1cccnc1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.CC(=O)Nc1cc2c(cc1OCCc1cccnc1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.CC(=O)c1cc2c(cc1OCCc1cccnc1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.Cc1ccc(C2c3cc(OCCc4cccnc4)c(Cl)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(NC=O)cc3CCN2C(=O)CCc2cocn2)c(C)c1
• InChI: InChI=1S/C33H35N3O4.C32H34N4O4.C32H33N3O4.C31H32N4O4.C30H30ClN3O3/c1-22-6-8-29(23(2)15-22)33-30-18-31(40-14-11-25-5-4-12-34-19-25)27(16-24(3)37)17-26(30)10-13-36(33)32(38)9-7-28-20-39-21-35-28;1-21-6-8-27(22(2)15-21)32-28-17-30(40-14-11-24-5-4-12-33-18-24)29(35-23(3)37)16-25(28)10-13-36(32)31(38)9-7-26-19-39-20-34-26;1-21-6-8-27(22(2)15-21)32-29-17-30(39-14-11-24-5-4-12-33-18-24)28(23(3)36)16-25(29)10-13-35(32)31(37)9-7-26-19-38-20-34-26;1-21-5-7-26(22(2)14-21)31-27-16-29(39-13-10-23-4-3-11-32-17-23)28(33-19-36)15-24(27)9-12-35(31)30(37)8-6-25-18-38-20-34-25;1-20-5-7-25(21(2)14-20)30-26-16-28(37-13-10-22-4-3-11-32-17-22)27(31)15-23(26)9-12-34(30)29(35)8-6-24-18-36-19-33-24/h4-6,8,12,15,17-21,33H,7,9-11,13-14,16H2,1-3H3;4-6,8,12,15-20,32H,7,9-11,13-14H2,1-3H3,(H,35,37);4-6,8,12,15-20,32H,7,9-11,13-14H2,1-3H3;3-5,7,11,14-20,31H,6,8-10,12-13H2,1-2H3,(H,33,36);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3
• InChIKey: KBUMYFZKSPSTRN-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 434.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 46
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.60
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one?

The IUPAC name of 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one (CID 159088896) is 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one.

What is the SMILES notation for 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one?

The canonical SMILES for 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one is CC(=O)Cc1cc2c(cc1OCCc1cccnc1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.CC(=O)Nc1cc2c(cc1OCCc1cccnc1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.CC(=O)c1cc2c(cc1OCCc1cccnc1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.Cc1ccc(C2c3cc(OCCc4cccnc4)c(Cl)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(NC=O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.

What is the InChIKey of 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one?

The InChIKey is KBUMYFZKSPSTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O4.C32H34N4O4.C32H33N3O4.C31H32N4O4.C30H30ClN3O3/c1-22-6-8-29(23(2)15-22)33-30-18-31(40-14-11-25-5-4-12-34-19-25)27(16-24(3)37)17-26(30)10-13-36(33)32(38)9-7-28-20-39-21-35-28;1-21-6-8-27(22(2)15-21)32-28-17-30(40-14-11-24-5-4-12-33-18-24)29(35-23(3)37)16-25(28)10-13-36(32)31(38)9-7-26-19-39-20-34-26;1-21-6-8-27(22(2)15-21)32-29-17-30(39-14-11-24-5-4-12-33-18-24)28(23(3)36)16-25(29)10-13-35(32)31(37)9-7-26-19-38-20-34-26;1-21-5-7-26(22(2)14-21)31-27-16-29(39-13-10-23-4-3-11-32-17-23)28(33-19-36)15-24(27)9-12-35(31)30(37)8-6-25-18-38-20-34-25;1-20-5-7-25(21(2)14-20)30-26-16-28(37-13-10-22-4-3-11-32-17-22)27(31)15-23(26)9-12-34(30)29(35)8-6-24-18-36-19-33-24/h4-6,8,12,15,17-21,33H,7,9-11,13-14,16H2,1-3H3;4-6,8,12,15-20,32H,7,9-11,13-14H2,1-3H3,(H,35,37);4-6,8,12,15-20,32H,7,9-11,13-14H2,1-3H3;3-5,7,11,14-20,31H,6,8-10,12-13H2,1-2H3,(H,33,36);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3.

What are the key properties of 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one?

1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one has a molecular weight of 2640.60 g/mol, XLogP of 27.59, 46 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-acetyl-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;1-[6-chloro-1-(2,4-dimethylphenyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;N-[1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-6-yl]formamide;1-[1-(2,4-dimethylphenyl)-6-(2-oxopropyl)-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1,3-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 159088896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).