quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate

C38H37N7O6 — CID 67527363

About quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate

quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate (PubChem CID 67527363) has the molecular formula C38H37N7O6 and a molecular weight of 687.76 g/mol. Its IUPAC name is quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate.

Molecular Properties

• Compound Name: quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate
• PubChem CID: 67527363
• Molecular Formula: C38H37N7O6
• Molecular Weight: 687.76 g/mol
• Exact Mass: 687.28
• IUPAC Name: quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate
• SMILES: COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)Oc4ccnc5ccccc45)n3)cc1)CC2
• InChI: InChI=1S/C38H37N7O6/c1-47-33-19-25-15-18-44(23-26(25)20-34(33)48-2)17-14-24-9-11-27(12-10-24)45-42-37(41-43-45)29-21-35(49-3)36(50-4)22-31(29)40-38(46)51-32-13-16-39-30-8-6-5-7-28(30)32/h5-13,16,19-22H,14-15,17-18,23H2,1-4H3,(H,40,46)
• InChIKey: MUSSJLXRBJEDFE-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 134.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	687.76
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate?

The IUPAC name of quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate (CID 67527363) is quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate.

What is the SMILES notation for quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate?

The canonical SMILES for quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate is COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)Oc4ccnc5ccccc45)n3)cc1)CC2.

What is the InChIKey of quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate?

The InChIKey is MUSSJLXRBJEDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N7O6/c1-47-33-19-25-15-18-44(23-26(25)20-34(33)48-2)17-14-24-9-11-27(12-10-24)45-42-37(41-43-45)29-21-35(49-3)36(50-4)22-31(29)40-38(46)51-32-13-16-39-30-8-6-5-7-28(30)32/h5-13,16,19-22H,14-15,17-18,23H2,1-4H3,(H,40,46).

What are the key properties of quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate?

quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate has a molecular weight of 687.76 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for quinolin-4-yl N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]carbamate is sourced from PubChem (CID 67527363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).