1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline

C115H143Cl2F3N14O14 — CID 161443066

About 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline

1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline (PubChem CID 161443066) has the molecular formula C115H143Cl2F3N14O14 and a molecular weight of 2073.39 g/mol. Its IUPAC name is 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline.

Molecular Properties

• Compound Name: 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline
• PubChem CID: 161443066
• Molecular Formula: C115H143Cl2F3N14O14
• Molecular Weight: 2073.39 g/mol
• Exact Mass: 2071.02
• IUPAC Name: 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline
• SMILES: CC(C)(C)Oc1ccnc2c(Cl)cccc12.CC(C)(C)Oc1nccc2cc(OCC(F)(F)F)ccc12.CC(C)(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)(C)n1nnc2ccccc21.CCOc1cc2ccccc2c(OC(C)(C)C)n1.CN(C)CCOc1ccc2c(OC(C)(C)C)nccc2c1.COc1ccc2c(OC(C)(C)C)cnnc2c1.COc1ccc2c(OC(C)(C)C)ncnc2c1Cl
• InChI: InChI=1S/C19H26N2O3.C17H24N2O2.C15H16F3NO2.C15H19NO2.C13H15ClN2O2.C13H14ClNO.C13H16N2O2.C10H13N3/c1-19(2,3)24-18-17-5-4-16(14-15(17)6-7-20-18)23-13-10-21-8-11-22-12-9-21;1-17(2,3)21-16-15-7-6-14(20-11-10-19(4)5)12-13(15)8-9-18-16;1-14(2,3)21-13-12-5-4-11(20-9-15(16,17)18)8-10(12)6-7-19-13;1-5-17-13-10-11-8-6-7-9-12(11)14(16-13)18-15(2,3)4;1-13(2,3)18-12-8-5-6-9(17-4)10(14)11(8)15-7-16-12;1-13(2,3)16-11-7-8-15-12-9(11)5-4-6-10(12)14;1-13(2,3)17-12-8-14-15-11-7-9(16-4)5-6-10(11)12;1-10(2,3)13-9-7-5-4-6-8(9)11-12-13/h4-7,14H,8-13H2,1-3H3;6-9,12H,10-11H2,1-5H3;4-8H,9H2,1-3H3;6-10H,5H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3
• InChIKey: VZNQBLQCKSMWQL-UHFFFAOYSA-N
• XLogP: 27.18
• TPSA: 282.42 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.39
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline?

The IUPAC name of 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline (CID 161443066) is 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline.

What is the SMILES notation for 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline?

The canonical SMILES for 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline is CC(C)(C)Oc1ccnc2c(Cl)cccc12.CC(C)(C)Oc1nccc2cc(OCC(F)(F)F)ccc12.CC(C)(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)(C)n1nnc2ccccc21.CCOc1cc2ccccc2c(OC(C)(C)C)n1.CN(C)CCOc1ccc2c(OC(C)(C)C)nccc2c1.COc1ccc2c(OC(C)(C)C)cnnc2c1.COc1ccc2c(OC(C)(C)C)ncnc2c1Cl.

What is the InChIKey of 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline?

The InChIKey is VZNQBLQCKSMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.C17H24N2O2.C15H16F3NO2.C15H19NO2.C13H15ClN2O2.C13H14ClNO.C13H16N2O2.C10H13N3/c1-19(2,3)24-18-17-5-4-16(14-15(17)6-7-20-18)23-13-10-21-8-11-22-12-9-21;1-17(2,3)21-16-15-7-6-14(20-11-10-19(4)5)12-13(15)8-9-18-16;1-14(2,3)21-13-12-5-4-11(20-9-15(16,17)18)8-10(12)6-7-19-13;1-5-17-13-10-11-8-6-7-9-12(11)14(16-13)18-15(2,3)4;1-13(2,3)18-12-8-5-6-9(17-4)10(14)11(8)15-7-16-12;1-13(2,3)16-11-7-8-15-12-9(11)5-4-6-10(12)14;1-13(2,3)17-12-8-14-15-11-7-9(16-4)5-6-10(11)12;1-10(2,3)13-9-7-5-4-6-8(9)11-12-13/h4-7,14H,8-13H2,1-3H3;6-9,12H,10-11H2,1-5H3;4-8H,9H2,1-3H3;6-10H,5H2,1-4H3;5-7H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4-7H,1-3H3.

What are the key properties of 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline?

1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline has a molecular weight of 2073.39 g/mol, XLogP of 27.18, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylbenzotriazole;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;N,N-dimethyl-2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethanamine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine;1-[(2-methylpropan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)isoquinoline is sourced from PubChem (CID 161443066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).