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-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol

C220H232Cl2F7N21O20S2 — CID 159661069

IUPAC2-[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-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol
SMILESCc1ccc2c(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(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccsc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4sccc4C3)nc12.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3cccc(O)c3n1)C2
InChIInChI=1S/2C23H23F3N2O2.C23H23N3O2.C23H26N2O2.2C22H23ClN2O2.C22H23FN2O2.C22H24N2O2.2C20H22N2O2S/c24-23(25,26)19-7-3-5-16-11-13-28(15-18(16)19)12-1-2-14-30-21-10-9-17-6-4-8-20(29)22(17)27-21;24-23(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/h3-10,29H,1-2,11-15H2;3-9,14,29H,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
InChIKeyMSURANCWGYTISL-UHFFFAOYSA-N
MW3758.43 g/mol
LogP46.04
Rot. Bonds60

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-[8-(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;2-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol (PubChem CID 159661069) has the molecular formula C220H232Cl2F7N21O20S2 and a molecular weight of 3758.43 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;2-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol.

Molecular Properties

Compound Name2-[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-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol
PubChem CID159661069
Molecular FormulaC220H232Cl2F7N21O20S2
Molecular Weight3758.43 g/mol
Exact Mass3754.65
IUPAC Name2-[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-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol
SMILESCc1ccc2c(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(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccccc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4ccsc4C3)nc12.Oc1cccc2ccc(OCCCCN3CCc4sccc4C3)nc12.[C-]#[N+]c1ccc2c(c1)CCN(CCCCOc1ccc3cccc(O)c3n1)C2
InChIInChI=1S/2C23H23F3N2O2.C23H23N3O2.C23H26N2O2.2C22H23ClN2O2.C22H23FN2O2.C22H24N2O2.2C20H22N2O2S/c24-23(25,26)19-7-3-5-16-11-13-28(15-18(16)19)12-1-2-14-30-21-10-9-17-6-4-8-20(29)22(17)27-21;24-23(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/h3-10,29H,1-2,11-15H2;3-9,14,29H,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
InChIKeyMSURANCWGYTISL-UHFFFAOYSA-N
XLogP46.04
TPSA460.26 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds60
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003758.43
LogP ≤ 546.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 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-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol with MolForge

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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;2-[4-[8-(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;2-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol (CID 159661069) 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;2-[4-[8-(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;2-[4-[8-(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;2-[4-[8-(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(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)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;2-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol?
The InChIKey is MSURANCWGYTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23F3N2O2.C23H23N3O2.C23H26N2O2.2C22H23ClN2O2.C22H23FN2O2.C22H24N2O2.2C20H22N2O2S/c24-23(25,26)19-7-3-5-16-11-13-28(15-18(16)19)12-1-2-14-30-21-10-9-17-6-4-8-20(29)22(17)27-21;24-23(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/h3-10,29H,1-2,11-15H2;3-9,14,29H,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-[8-(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;2-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol has a molecular weight of 3758.43 g/mol, XLogP of 46.04, 60 rotatable bonds, 10 hydrogen bond donors, and 42 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;2-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]quinolin-8-ol is sourced from PubChem (CID 159661069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).