2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline

C127H148BrCl3FN33O5 — CID 160762953

About 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline

2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline (PubChem CID 160762953) has the molecular formula C127H148BrCl3FN33O5 and a molecular weight of 2422.07 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline
• PubChem CID: 160762953
• Molecular Formula: C127H148BrCl3FN33O5
• Molecular Weight: 2422.07 g/mol
• Exact Mass: 2418.06
• IUPAC Name: 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline
• SMILES: CC(C)(C)n1nnnc1C(c1ccccc1Br)N1CCc2ccc(Cl)cc2C1.CC(C)(C)n1nnnc1C(c1ccccc1F)N1CCc2ccc(Cl)cc2C1.CC(C)(C)n1nnnc1C(c1ccccc1[N+](=O)[O-])N1CCc2ccc(Cl)cc2C1.COc1cccc(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)n1.COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCc2ccccc2C1.COc1ncccc1C(c1nnnn1C(C)(C)C)N1CCc2ccccc2C1
• InChI: InChI=1S/C22H27N5O.C21H23BrClN5.C21H23ClFN5.C21H23ClN6O2.2C21H26N6O/c1-22(2,3)27-21(23-24-25-27)20(18-11-7-8-12-19(18)28-4)26-14-13-16-9-5-6-10-17(16)15-26;1-21(2,3)28-20(24-25-26-28)19(17-6-4-5-7-18(17)22)27-11-10-14-8-9-16(23)12-15(14)13-27;1-21(2,3)28-20(24-25-26-28)19(17-6-4-5-7-18(17)23)27-11-10-14-8-9-16(22)12-15(14)13-27;1-21(2,3)27-20(23-24-25-27)19(17-6-4-5-7-18(17)28(29)30)26-11-10-14-8-9-16(22)12-15(14)13-26;1-21(2,3)27-19(23-24-25-27)18(17-10-7-12-22-20(17)28-4)26-13-11-15-8-5-6-9-16(15)14-26;1-21(2,3)27-20(23-24-25-27)19(17-10-7-11-18(22-17)28-4)26-13-12-15-8-5-6-9-16(15)14-26/h5-12,20H,13-15H2,1-4H3;2*4-9,12,19H,10-11,13H2,1-3H3;4-9,12,19H,10-11,13H2,1-3H3;5-10,12,18H,11,13-14H2,1-4H3;5-11,19H,12-14H2,1-4H3
• InChIKey: RYHRXGCZNPRFHF-UHFFFAOYSA-N
• XLogP: 23.04
• TPSA: 377.65 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.07
LogP ≤ 5	23.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline?

The IUPAC name of 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline (CID 160762953) is 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline is CC(C)(C)n1nnnc1C(c1ccccc1Br)N1CCc2ccc(Cl)cc2C1.CC(C)(C)n1nnnc1C(c1ccccc1F)N1CCc2ccc(Cl)cc2C1.CC(C)(C)n1nnnc1C(c1ccccc1[N+](=O)[O-])N1CCc2ccc(Cl)cc2C1.COc1cccc(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)n1.COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCc2ccccc2C1.COc1ncccc1C(c1nnnn1C(C)(C)C)N1CCc2ccccc2C1.

What is the InChIKey of 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline?

The InChIKey is RYHRXGCZNPRFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O.C21H23BrClN5.C21H23ClFN5.C21H23ClN6O2.2C21H26N6O/c1-22(2,3)27-21(23-24-25-27)20(18-11-7-8-12-19(18)28-4)26-14-13-16-9-5-6-10-17(16)15-26;1-21(2,3)28-20(24-25-26-28)19(17-6-4-5-7-18(17)22)27-11-10-14-8-9-16(23)12-15(14)13-27;1-21(2,3)28-20(24-25-26-28)19(17-6-4-5-7-18(17)23)27-11-10-14-8-9-16(22)12-15(14)13-27;1-21(2,3)27-20(23-24-25-27)19(17-6-4-5-7-18(17)28(29)30)26-11-10-14-8-9-16(22)12-15(14)13-26;1-21(2,3)27-19(23-24-25-27)18(17-10-7-12-22-20(17)28-4)26-13-11-15-8-5-6-9-16(15)14-26;1-21(2,3)27-20(23-24-25-27)19(17-10-7-11-18(22-17)28-4)26-13-12-15-8-5-6-9-16(15)14-26/h5-12,20H,13-15H2,1-4H3;2*4-9,12,19H,10-11,13H2,1-3H3;4-9,12,19H,10-11,13H2,1-3H3;5-10,12,18H,11,13-14H2,1-4H3;5-11,19H,12-14H2,1-4H3.

What are the key properties of 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline?

2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline has a molecular weight of 2422.07 g/mol, XLogP of 23.04, 22 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-bromophenyl)-(1-tert-butyltetrazol-5-yl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(6-methoxy-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]-7-chloro-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 160762953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).