6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline

C22H25N3O4 — CID 11675601

IUPAC6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
SMILESCOCCOc1cccc2c1CN(c1cnnc3cc(OC)c(OC)cc13)CC2
InChIInChI=1S/C22H25N3O4/c1-26-9-10-29-20-6-4-5-15-7-8-25(14-17(15)20)19-13-23-24-18-12-22(28-3)21(27-2)11-16(18)19/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeySVDBKJMXAQXDOE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.23
Rot. Bonds7

About 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline

6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline (PubChem CID 11675601) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
PubChem CID11675601
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
SMILESCOCCOc1cccc2c1CN(c1cnnc3cc(OC)c(OC)cc13)CC2
InChIInChI=1S/C22H25N3O4/c1-26-9-10-29-20-6-4-5-15-7-8-25(14-17(15)20)19-13-23-24-18-12-22(28-3)21(27-2)11-16(18)19/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeySVDBKJMXAQXDOE-UHFFFAOYSA-N
XLogP3.23
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline?
The IUPAC name of 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline (CID 11675601) is 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline.
What is the SMILES notation for 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline?
The canonical SMILES for 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline is COCCOc1cccc2c1CN(c1cnnc3cc(OC)c(OC)cc13)CC2.
What is the InChIKey of 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline?
The InChIKey is SVDBKJMXAQXDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-26-9-10-29-20-6-4-5-15-7-8-25(14-17(15)20)19-13-23-24-18-12-22(28-3)21(27-2)11-16(18)19/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline?
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline has a molecular weight of 395.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline is sourced from PubChem (CID 11675601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).