6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline

C28H34N4O7S2 — CID 22213818

IUPAC6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline
SMILESCOc1ccc2nccc(OCCNCCOS(=O)(=O)SCCNCCOc3ccnc4ccc(OC)cc34)c2c1
InChIInChI=1S/C28H34N4O7S2/c1-35-21-3-5-25-23(19-21)27(7-9-31-25)37-15-11-29-13-17-39-41(33,34)40-18-14-30-12-16-38-28-8-10-32-26-6-4-22(36-2)20-24(26)28/h3-10,19-20,29-30H,11-18H2,1-2H3
InChIKeyVTWCTRQGENYBQR-UHFFFAOYSA-N
MW602.74 g/mol
LogP3.43
Rot. Bonds18

About 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline

6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline (PubChem CID 22213818) has the molecular formula C28H34N4O7S2 and a molecular weight of 602.74 g/mol. Its IUPAC name is 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline.

Molecular Properties

Compound Name6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline
PubChem CID22213818
Molecular FormulaC28H34N4O7S2
Molecular Weight602.74 g/mol
Exact Mass602.19
IUPAC Name6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline
SMILESCOc1ccc2nccc(OCCNCCOS(=O)(=O)SCCNCCOc3ccnc4ccc(OC)cc34)c2c1
InChIInChI=1S/C28H34N4O7S2/c1-35-21-3-5-25-23(19-21)27(7-9-31-25)37-15-11-29-13-17-39-41(33,34)40-18-14-30-12-16-38-28-8-10-32-26-6-4-22(36-2)20-24(26)28/h3-10,19-20,29-30H,11-18H2,1-2H3
InChIKeyVTWCTRQGENYBQR-UHFFFAOYSA-N
XLogP3.43
TPSA130.13 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline?
The IUPAC name of 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline (CID 22213818) is 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline.
What is the SMILES notation for 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline?
The canonical SMILES for 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline is COc1ccc2nccc(OCCNCCOS(=O)(=O)SCCNCCOc3ccnc4ccc(OC)cc34)c2c1.
What is the InChIKey of 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline?
The InChIKey is VTWCTRQGENYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O7S2/c1-35-21-3-5-25-23(19-21)27(7-9-31-25)37-15-11-29-13-17-39-41(33,34)40-18-14-30-12-16-38-28-8-10-32-26-6-4-22(36-2)20-24(26)28/h3-10,19-20,29-30H,11-18H2,1-2H3.
What are the key properties of 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline?
6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline has a molecular weight of 602.74 g/mol, XLogP of 3.43, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[2-[2-[2-[2-(6-methoxyquinolin-4-yl)oxyethylamino]ethylsulfanylsulfonyloxy]ethylamino]ethoxy]quinoline is sourced from PubChem (CID 22213818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).