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

C23H24N2O2 — CID 159414257

IUPAC6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
SMILESC.CCOc1cc2c(Cc3cnc4ccccc4c3)cncc2cc1OC
InChIInChI=1S/C22H20N2O2.CH4/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;1H4
InChIKeyLOYRWKZJFAIFSE-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.42
Rot. Bonds5

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

6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane (PubChem CID 159414257) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane.

Molecular Properties

Compound Name6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
PubChem CID159414257
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane
SMILESC.CCOc1cc2c(Cc3cnc4ccccc4c3)cncc2cc1OC
InChIInChI=1S/C22H20N2O2.CH4/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;1H4
InChIKeyLOYRWKZJFAIFSE-UHFFFAOYSA-N
XLogP5.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane 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;methane?
The IUPAC name of 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane (CID 159414257) is 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane.
What is the SMILES notation for 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane?
The canonical SMILES for 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane is C.CCOc1cc2c(Cc3cnc4ccccc4c3)cncc2cc1OC.
What is the InChIKey of 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane?
The InChIKey is LOYRWKZJFAIFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2.CH4/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;1H4.
What are the key properties of 6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane?
6-ethoxy-7-methoxy-4-(quinolin-3-ylmethyl)isoquinoline;methane has a molecular weight of 360.46 g/mol, XLogP of 5.42, 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;methane is sourced from PubChem (CID 159414257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).