2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol

C197H209Cl2F4N19O18S2 — CID 159646201

About 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol

2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol (PubChem CID 159646201) has the molecular formula C197H209Cl2F4N19O18S2 and a molecular weight of 3341.99 g/mol. Its IUPAC name is 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol.

Molecular Properties

• Compound Name: 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol
• PubChem CID: 159646201
• Molecular Formula: C197H209Cl2F4N19O18S2
• Molecular Weight: 3341.99 g/mol
• Exact Mass: 3338.48
• IUPAC Name: 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol
• SMILES: Cc1ccc2c(c1)CCN(CCCCOc1ccc3cccc(O)c3n1)C2.Oc1cccc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4cc(C(F)(F)F)ccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccsc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4sccc4C3)nc12.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3cccc(O)c3n1)C2
• InChI: InChI=1S/C23H23F3N2O2.C23H23N3O2.C23H26N2O2.2C22H23ClN2O2.C22H23FN2O2.C22H24N2O2.2C20H22N2O2S/c24-23(25,26)19-8-6-18-15-28(12-10-17(18)14-19)11-1-2-13-30-21-9-7-16-4-3-5-20(29)22(16)27-21;1-24-20-9-7-19-16-26(13-11-18(19)15-20)12-2-3-14-28-22-10-8-17-5-4-6-21(27)23(17)25-22;1-17-7-8-20-16-25(13-11-19(20)15-17)12-2-3-14-27-22-10-9-18-5-4-6-21(26)23(18)24-22;23-19-7-3-6-17-15-25(13-11-18(17)19)12-1-2-14-27-21-10-9-16-5-4-8-20(26)22(16)24-21;2*23-19-8-6-18-15-25(12-10-17(18)14-19)11-1-2-13-27-21-9-7-16-4-3-5-20(26)22(16)24-21;25-20-9-5-8-18-10-11-21(23-22(18)20)26-15-4-3-13-24-14-12-17-6-1-2-7-19(17)16-24;23-17-5-3-4-16-6-7-19(21-20(16)17)24-12-2-1-10-22-11-8-15-9-13-25-18(15)14-22;23-17-5-3-4-15-6-7-19(21-20(15)17)24-12-2-1-10-22-11-8-18-16(14-22)9-13-25-18/h3-9,14,29H,1-2,10-13,15H2;4-10,15,27H,2-3,11-14,16H2;4-10,15,26H,2-3,11-14,16H2,1H3;3-10,26H,1-2,11-15H2;2*3-9,14,26H,1-2,10-13,15H2;1-2,5-11,25H,3-4,12-16H2;2*3-7,9,13,23H,1-2,8,10-12,14H2
• InChIKey: MQZIVYRQYMPKSP-UHFFFAOYSA-N
• XLogP: 40.87
• TPSA: 414.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 54
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3341.99
LogP ≤ 5	40.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol?

The IUPAC name of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol (CID 159646201) is 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol.

What is the SMILES notation for 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol?

The canonical SMILES for 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol is Cc1ccc2c(c1)CCN(CCCCOc1ccc3cccc(O)c3n1)C2.Oc1cccc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4cc(C(F)(F)F)ccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccsc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4sccc4C3)nc12.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3cccc(O)c3n1)C2.

What is the InChIKey of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol?

The InChIKey is MQZIVYRQYMPKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2.C23H23N3O2.C23H26N2O2.2C22H23ClN2O2.C22H23FN2O2.C22H24N2O2.2C20H22N2O2S/c24-23(25,26)19-8-6-18-15-28(12-10-17(18)14-19)11-1-2-13-30-21-9-7-16-4-3-5-20(29)22(16)27-21;1-24-20-9-7-19-16-26(13-11-18(19)15-20)12-2-3-14-28-22-10-8-17-5-4-6-21(27)23(17)25-22;1-17-7-8-20-16-25(13-11-19(20)15-17)12-2-3-14-27-22-10-9-18-5-4-6-21(26)23(18)24-22;23-19-7-3-6-17-15-25(13-11-18(17)19)12-1-2-14-27-21-10-9-16-5-4-8-20(26)22(16)24-21;2*23-19-8-6-18-15-25(12-10-17(18)14-19)11-1-2-13-27-21-9-7-16-4-3-5-20(26)22(16)24-21;25-20-9-5-8-18-10-11-21(23-22(18)20)26-15-4-3-13-24-14-12-17-6-1-2-7-19(17)16-24;23-17-5-3-4-16-6-7-19(21-20(16)17)24-12-2-1-10-22-11-8-15-9-13-25-18(15)14-22;23-17-5-3-4-15-6-7-19(21-20(15)17)24-12-2-1-10-22-11-8-18-16(14-22)9-13-25-18/h3-9,14,29H,1-2,10-13,15H2;4-10,15,27H,2-3,11-14,16H2;4-10,15,26H,2-3,11-14,16H2,1H3;3-10,26H,1-2,11-15H2;2*3-9,14,26H,1-2,10-13,15H2;1-2,5-11,25H,3-4,12-16H2;2*3-7,9,13,23H,1-2,8,10-12,14H2.

What are the key properties of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol?

2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol has a molecular weight of 3341.99 g/mol, XLogP of 40.87, 54 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]quinolin-8-ol;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]quinolin-8-ol;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol;2-[4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol is sourced from PubChem (CID 159646201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).