6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline

C22H20N2O2 — CID 74539332

IUPAC6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCCOc1cc2c(Cc3cnc4ccccc4c3)cncc2cc1OC
InChIInChI=1S/C22H20N2O2/c1-3-26-22-11-19-17(13-23-14-18(19)10-21(22)25-2)9-15-8-16-6-4-5-7-20(16)24-12-15/h4-8,10-14H,3,9H2,1-2H3
InChIKeyGGXCSFDRJUWEJW-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.78
Rot. Bonds5

About 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline

6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline (PubChem CID 74539332) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline
PubChem CID74539332
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCCOc1cc2c(Cc3cnc4ccccc4c3)cncc2cc1OC
InChIInChI=1S/C22H20N2O2/c1-3-26-22-11-19-17(13-23-14-18(19)10-21(22)25-2)9-15-8-16-6-4-5-7-20(16)24-12-15/h4-8,10-14H,3,9H2,1-2H3
InChIKeyGGXCSFDRJUWEJW-UHFFFAOYSA-N
XLogP4.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline 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-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The IUPAC name of 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline (CID 74539332) is 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline.
What is the SMILES notation for 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The canonical SMILES for 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline is CCOc1cc2c(Cc3cnc4ccccc4c3)cncc2cc1OC.
What is the InChIKey of 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The InChIKey is GGXCSFDRJUWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-3-26-22-11-19-17(13-23-14-18(19)10-21(22)25-2)9-15-8-16-6-4-5-7-20(16)24-12-15/h4-8,10-14H,3,9H2,1-2H3.
What are the key properties of 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline?
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline has a molecular weight of 344.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline is sourced from PubChem (CID 74539332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).