3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C100H102Cl8N20O6 — CID 167649688

About 3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167649688) has the molecular formula C100H102Cl8N20O6 and a molecular weight of 1963.67 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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• PubChem CID: 167649688
• Molecular Formula: C100H102Cl8N20O6
• Molecular Weight: 1963.67 g/mol
• Exact Mass: 1958.58
• IUPAC Name: 3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(=O)N(C)C)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(=O)N4CCCC4)c3Cl)n2)cc2c1CCN(C)C2.[C-]#[N+]c1ccc(Cl)c(C(C)Oc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1Cl.[C-]#[N+]c1ccc(Cl)c(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1Cl
• InChI: InChI=1S/C27H29Cl2N5O2.C26H29Cl2N5O2.C24H23Cl2N5O.C23H21Cl2N5O/c1-16-11-17(12-18-14-33(2)10-7-19(16)18)23-13-31-25(30)26(32-23)36-15-21-22(28)6-5-20(24(21)29)27(35)34-8-3-4-9-34;1-14-10-16(11-17-13-33(5)9-8-18(14)17)21-12-30-24(29)25(31-21)35-15(2)22-20(27)7-6-19(23(22)28)26(34)32(3)4;1-13-9-15(10-16-12-31(4)8-7-17(13)16)20-11-29-23(27)24(30-20)32-14(2)21-18(25)5-6-19(28-3)22(21)26;1-13-8-14(9-15-11-30(3)7-6-16(13)15)20-10-28-22(26)23(29-20)31-12-17-18(24)4-5-19(27-2)21(17)25/h5-6,11-13H,3-4,7-10,14-15H2,1-2H3,(H2,30,31);6-7,10-12,15H,8-9,13H2,1-5H3,(H2,29,30);5-6,9-11,14H,7-8,12H2,1-2,4H3,(H2,27,29);4-5,8-10H,6-7,11-12H2,1,3H3,(H2,26,28)
• InChIKey: QJUXRRDILSORQA-UHFFFAOYSA-N
• XLogP: 21.79
• TPSA: 306.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.67
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167649688) is 3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(C(=O)N(C)C)c3Cl)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3c(Cl)ccc(C(=O)N4CCCC4)c3Cl)n2)cc2c1CCN(C)C2.[C-]#[N+]c1ccc(Cl)c(C(C)Oc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1Cl.[C-]#[N+]c1ccc(Cl)c(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)c1Cl.

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

The InChIKey is QJUXRRDILSORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N5O2.C26H29Cl2N5O2.C24H23Cl2N5O.C23H21Cl2N5O/c1-16-11-17(12-18-14-33(2)10-7-19(16)18)23-13-31-25(30)26(32-23)36-15-21-22(28)6-5-20(24(21)29)27(35)34-8-3-4-9-34;1-14-10-16(11-17-13-33(5)9-8-18(14)17)21-12-30-24(29)25(31-21)35-15(2)22-20(27)7-6-19(23(22)28)26(34)32(3)4;1-13-9-15(10-16-12-31(4)8-7-17(13)16)20-11-29-23(27)24(30-20)32-14(2)21-18(25)5-6-19(28-3)22(21)26;1-13-8-14(9-15-11-30(3)7-6-16(13)15)20-10-28-22(26)23(29-20)31-12-17-18(24)4-5-19(27-2)21(17)25/h5-6,11-13H,3-4,7-10,14-15H2,1-2H3,(H2,30,31);6-7,10-12,15H,8-9,13H2,1-5H3,(H2,29,30);5-6,9-11,14H,7-8,12H2,1-2,4H3,(H2,27,29);4-5,8-10H,6-7,11-12H2,1,3H3,(H2,26,28).

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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?

3-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-2,4-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 1963.67 g/mol, XLogP of 21.79, 18 rotatable bonds, 4 hydrogen bond donors, and 22 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-dichloro-N,N-dimethylbenzamide;[3-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2,4-dichlorophenyl]-pyrrolidin-1-ylmethanone;3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-isocyanophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167649688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).