6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C118H173F3N12O11 — CID 157406272

About 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 157406272) has the molecular formula C118H173F3N12O11 and a molecular weight of 1992.75 g/mol. Its IUPAC name is 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
• PubChem CID: 157406272
• Molecular Formula: C118H173F3N12O11
• Molecular Weight: 1992.75 g/mol
• Exact Mass: 1991.33
• IUPAC Name: 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
• SMILES: CC(C)N1CCc2cnn(CC(F)(F)F)c2C1.CC(C)N1Cc2ccc(O)cc2C(O)C1.CC(C)N1Cc2ccc(OCNC=O)cc2C(O)C1.CCOc1ccc2c(c1)C(O)CN(C(C)C)C2.CCOc1ccc2c(c1)CCN(C(C)C)C2.COc1cccc2c1C(O)CN(C(C)C)C2.Cc1ccc2c(c1)CCN(C(C)C)C2.Cc1ccc2c(c1)CCN(C(C)C)CC2.Cc1ccc2c(c1)CN(C(C)C)CC2O
• InChI: InChI=1S/C14H20N2O3.C14H21NO2.C14H21NO.C14H21N.C13H19NO2.C13H19NO.C13H19N.C12H17NO2.C11H16F3N3/c1-10(2)16-6-11-3-4-12(19-9-15-8-17)5-13(11)14(18)7-16;1-4-17-12-6-5-11-8-15(10(2)3)9-14(16)13(11)7-12;1-4-16-14-6-5-13-10-15(11(2)3)8-7-12(13)9-14;1-11(2)15-8-6-13-5-4-12(3)10-14(13)7-9-15;1-9(2)14-7-10-5-4-6-12(16-3)13(10)11(15)8-14;1-9(2)14-7-11-6-10(3)4-5-12(11)13(15)8-14;1-10(2)14-7-6-12-8-11(3)4-5-13(12)9-14;1-8(2)13-6-9-3-4-10(14)5-11(9)12(15)7-13;1-8(2)16-4-3-9-5-15-17(10(9)6-16)7-11(12,13)14/h3-5,8,10,14,18H,6-7,9H2,1-2H3,(H,15,17);5-7,10,14,16H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;4-6,9,11,15H,7-8H2,1-3H3;4-6,9,13,15H,7-8H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;3-5,8,12,14-15H,6-7H2,1-2H3;5,8H,3-4,6-7H2,1-2H3
• InChIKey: BNTDPWOQGUJIFN-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 234.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1992.75
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?

The IUPAC name of 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 157406272) is 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

What is the SMILES notation for 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?

The canonical SMILES for 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CC(C)N1CCc2cnn(CC(F)(F)F)c2C1.CC(C)N1Cc2ccc(O)cc2C(O)C1.CC(C)N1Cc2ccc(OCNC=O)cc2C(O)C1.CCOc1ccc2c(c1)C(O)CN(C(C)C)C2.CCOc1ccc2c(c1)CCN(C(C)C)C2.COc1cccc2c1C(O)CN(C(C)C)C2.Cc1ccc2c(c1)CCN(C(C)C)C2.Cc1ccc2c(c1)CCN(C(C)C)CC2.Cc1ccc2c(c1)CN(C(C)C)CC2O.

What is the InChIKey of 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?

The InChIKey is BNTDPWOQGUJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.C14H21NO2.C14H21NO.C14H21N.C13H19NO2.C13H19NO.C13H19N.C12H17NO2.C11H16F3N3/c1-10(2)16-6-11-3-4-12(19-9-15-8-17)5-13(11)14(18)7-16;1-4-17-12-6-5-11-8-15(10(2)3)9-14(16)13(11)7-12;1-4-16-14-6-5-13-10-15(11(2)3)8-7-12(13)9-14;1-11(2)15-8-6-13-5-4-12(3)10-14(13)7-9-15;1-9(2)14-7-10-5-4-6-12(16-3)13(10)11(15)8-14;1-9(2)14-7-11-6-10(3)4-5-12(11)13(15)8-14;1-10(2)14-7-6-12-8-11(3)4-5-13(12)9-14;1-8(2)13-6-9-3-4-10(14)5-11(9)12(15)7-13;1-8(2)16-4-3-9-5-15-17(10(9)6-16)7-11(12,13)14/h3-5,8,10,14,18H,6-7,9H2,1-2H3,(H,15,17);5-7,10,14,16H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;4-6,9,11,15H,7-8H2,1-3H3;4-6,9,13,15H,7-8H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;3-5,8,12,14-15H,6-7H2,1-2H3;5,8H,3-4,6-7H2,1-2H3.

What are the key properties of 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?

6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 1992.75 g/mol, XLogP of 19.85, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-ethoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;N-[(4-hydroxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]formamide;5-methoxy-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;6-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinolin-4-ol;7-methyl-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline-4,6-diol;6-propan-2-yl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 157406272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).