[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone

C110H119Cl8N19O10 — CID 167650336

About [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone

[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone (PubChem CID 167650336) has the molecular formula C110H119Cl8N19O10 and a molecular weight of 2150.91 g/mol. Its IUPAC name is [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone
• PubChem CID: 167650336
• Molecular Formula: C110H119Cl8N19O10
• Molecular Weight: 2150.91 g/mol
• Exact Mass: 2145.69
• IUPAC Name: [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone
• SMILES: Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(=O)N4CCCC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(=O)CC4CC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C28H31Cl2N5O3.C28H31Cl2N5O2.C27H29Cl2N5O3.C27H28Cl2N4O2/c1-16-12-18(13-19-15-34(3)7-6-20(16)19)23-14-32-26(31)27(33-23)38-17(2)24-22(29)5-4-21(25(24)30)28(36)35-8-10-37-11-9-35;1-16-12-18(13-19-15-34(3)11-8-20(16)19)23-14-32-26(31)27(33-23)37-17(2)24-22(29)7-6-21(25(24)30)28(36)35-9-4-5-10-35;1-16-11-17(12-18-14-33(2)6-5-19(16)18)23-13-31-25(30)26(32-23)37-15-21-22(28)4-3-20(24(21)29)27(35)34-7-9-36-10-8-34;1-15-9-17(11-18-13-33(2)8-7-19(15)18)23-12-31-26(30)27(32-23)35-14-21-22(28)6-5-20(25(21)29)24(34)10-16-3-4-16/h4-5,12-14,17H,6-11,15H2,1-3H3,(H2,31,32);6-7,12-14,17H,4-5,8-11,15H2,1-3H3,(H2,31,32);3-4,11-13H,5-10,14-15H2,1-2H3,(H2,30,31);5-6,9,11-12,16H,3-4,7-8,10,13-14H2,1-2H3,(H2,30,31)
• InChIKey: QMHMEXAQBJHNMT-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 353.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.91
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone?

The IUPAC name of [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone (CID 167650336) is [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone is Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(=O)N4CCCC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(=O)CC4CC4)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)n2)cc2c1CCN(C)C2.

What is the InChIKey of [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone?

The InChIKey is QMHMEXAQBJHNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N5O3.C28H31Cl2N5O2.C27H29Cl2N5O3.C27H28Cl2N4O2/c1-16-12-18(13-19-15-34(3)7-6-20(16)19)23-14-32-26(31)27(33-23)38-17(2)24-22(29)5-4-21(25(24)30)28(36)35-8-10-37-11-9-35;1-16-12-18(13-19-15-34(3)11-8-20(16)19)23-14-32-26(31)27(33-23)37-17(2)24-22(29)7-6-21(25(24)30)28(36)35-9-4-5-10-35;1-16-11-17(12-18-14-33(2)6-5-19(16)18)23-13-31-25(30)26(32-23)37-15-21-22(28)4-3-20(24(21)29)27(35)34-7-9-36-10-8-34;1-15-9-17(11-18-13-33(2)8-7-19(15)18)23-12-31-26(30)27(32-23)35-14-21-22(28)6-5-20(25(21)29)24(34)10-16-3-4-16/h4-5,12-14,17H,6-11,15H2,1-3H3,(H2,31,32);6-7,12-14,17H,4-5,8-11,15H2,1-3H3,(H2,31,32);3-4,11-13H,5-10,14-15H2,1-2H3,(H2,30,31);5-6,9,11-12,16H,3-4,7-8,10,13-14H2,1-2H3,(H2,30,31).

What are the key properties of [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone?

[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone has a molecular weight of 2150.91 g/mol, XLogP of 20.92, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone;[3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;1-[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-2-cyclopropylethanone;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167650336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).