tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C149H196F6N12O25 — CID 162248049

About tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate

tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 162248049) has the molecular formula C149H196F6N12O25 and a molecular weight of 2669.25 g/mol. Its IUPAC name is tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
• PubChem CID: 162248049
• Molecular Formula: C149H196F6N12O25
• Molecular Weight: 2669.25 g/mol
• Exact Mass: 2667.43
• IUPAC Name: tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
• SMILES: CCC(C)C1c2ccc(OCc3nc(C)ccc3OC)cc2CCN1C(=O)OC(C)(C)C.COc1cc2c(cc1OCc1nc(C)ccc1OC)CCN(C(=O)OC(C)(C)C)C2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CC(C)N(C(=O)OC(C)(C)C)C2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2C(F)(F)F.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2CC(F)(F)F.COc1cccnc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C
• InChI: InChI=1S/C26H36N2O5.2C26H36N2O4.C24H29F3N2O4.C24H32N2O4.C23H27F3N2O4/c1-16(2)24-19-14-22(31-8)23(32-15-20-21(30-7)10-9-17(3)27-20)13-18(19)11-12-28(24)25(29)33-26(4,5)6;1-16(2)24-21-11-10-20(31-15-22-23(30-8)12-9-17(3)27-22)14-19(21)13-18(4)28(24)25(29)32-26(5,6)7;1-8-17(2)24-21-11-10-20(31-16-22-23(30-7)12-9-18(3)27-22)15-19(21)13-14-28(24)25(29)32-26(4,5)6;1-15-6-9-21(31-5)19(28-15)14-32-17-7-8-18-16(12-17)10-11-29(20(18)13-24(25,26)27)22(30)33-23(2,3)4;1-16(2)22-19-10-9-18(29-15-20-21(28-6)8-7-12-25-20)14-17(19)11-13-26(22)23(27)30-24(3,4)5;1-14-6-9-19(30-5)18(27-14)13-31-16-7-8-17-15(12-16)10-11-28(20(17)23(24,25)26)21(29)32-22(2,3)4/h9-10,13-14,16,24H,11-12,15H2,1-8H3;9-12,14,16,18,24H,13,15H2,1-8H3;9-12,15,17,24H,8,13-14,16H2,1-7H3;6-9,12,20H,10-11,13-14H2,1-5H3;7-10,12,14,16,22H,11,13,15H2,1-6H3;6-9,12,20H,10-11,13H2,1-5H3/t;;;;22-;/m....0./s1
• InChIKey: ZXPNWBVBZMKFDG-CVCVZMGYSA-N
• XLogP: 33.49
• TPSA: 374.57 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2669.25
LogP ≤ 5	33.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The IUPAC name of tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 162248049) is tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the SMILES notation for tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The canonical SMILES for tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate is CCC(C)C1c2ccc(OCc3nc(C)ccc3OC)cc2CCN1C(=O)OC(C)(C)C.COc1cc2c(cc1OCc1nc(C)ccc1OC)CCN(C(=O)OC(C)(C)C)C2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CC(C)N(C(=O)OC(C)(C)C)C2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2C(F)(F)F.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2CC(F)(F)F.COc1cccnc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)[C@H]2C(C)C.

What is the InChIKey of tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The InChIKey is ZXPNWBVBZMKFDG-CVCVZMGYSA-N. The full InChI is InChI=1S/C26H36N2O5.2C26H36N2O4.C24H29F3N2O4.C24H32N2O4.C23H27F3N2O4/c1-16(2)24-19-14-22(31-8)23(32-15-20-21(30-7)10-9-17(3)27-20)13-18(19)11-12-28(24)25(29)33-26(4,5)6;1-16(2)24-21-11-10-20(31-15-22-23(30-8)12-9-17(3)27-22)14-19(21)13-18(4)28(24)25(29)32-26(5,6)7;1-8-17(2)24-21-11-10-20(31-16-22-23(30-7)12-9-18(3)27-22)15-19(21)13-14-28(24)25(29)32-26(4,5)6;1-15-6-9-21(31-5)19(28-15)14-32-17-7-8-18-16(12-17)10-11-29(20(18)13-24(25,26)27)22(30)33-23(2,3)4;1-16(2)22-19-10-9-18(29-15-20-21(28-6)8-7-12-25-20)14-17(19)11-13-26(22)23(27)30-24(3,4)5;1-14-6-9-19(30-5)18(27-14)13-31-16-7-8-17-15(12-16)10-11-28(20(17)23(24,25)26)21(29)32-22(2,3)4/h9-10,13-14,16,24H,11-12,15H2,1-8H3;9-12,14,16,18,24H,13,15H2,1-8H3;9-12,15,17,24H,8,13-14,16H2,1-7H3;6-9,12,20H,10-11,13-14H2,1-5H3;7-10,12,14,16,22H,11,13,15H2,1-6H3;6-9,12,20H,10-11,13H2,1-5H3/t;;;;22-;/m....0./s1.

What are the key properties of tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate?

tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 2669.25 g/mol, XLogP of 33.49, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 162248049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).