2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine

C22H24IN3O4 — CID 18765188

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine (PubChem CID 18765188) has the molecular formula C22H24IN3O4 and a molecular weight of 521.36 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

• Compound Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine
• PubChem CID: 18765188
• Molecular Formula: C22H24IN3O4
• Molecular Weight: 521.36 g/mol
• Exact Mass: 521.08
• IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine
• SMILES: COc1cc2c(cc1OC)CN(c1cc(N)c3c(I)c(OC)c(OC)cc3n1)CC2
• InChI: InChI=1S/C22H24IN3O4/c1-27-16-7-12-5-6-26(11-13(12)8-17(16)28-2)19-9-14(24)20-15(25-19)10-18(29-3)22(30-4)21(20)23/h7-10H,5-6,11H2,1-4H3,(H2,24,25)
• InChIKey: UAISNJSAZMHJSZ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 79.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.36
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine?

The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine (CID 18765188) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine.

What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine?

The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine is COc1cc2c(cc1OC)CN(c1cc(N)c3c(I)c(OC)c(OC)cc3n1)CC2.

What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine?

The InChIKey is UAISNJSAZMHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24IN3O4/c1-27-16-7-12-5-6-26(11-13(12)8-17(16)28-2)19-9-14(24)20-15(25-19)10-18(29-3)22(30-4)21(20)23/h7-10H,5-6,11H2,1-4H3,(H2,24,25).

What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine?

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine has a molecular weight of 521.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 18765188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).