1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline

C23H22N2O2 — CID 74539265

IUPAC1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCCc1ncc(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H22N2O2/c1-4-20-19-12-23(27-3)22(26-2)11-18(19)17(14-25-20)10-15-9-16-7-5-6-8-21(16)24-13-15/h5-9,11-14H,4,10H2,1-3H3
InChIKeyQMZYGDUGQNRMTH-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.95
Rot. Bonds5

About 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline

1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline (PubChem CID 74539265) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline.

Molecular Properties

Compound Name1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
PubChem CID74539265
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCCc1ncc(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12
InChIInChI=1S/C23H22N2O2/c1-4-20-19-12-23(27-3)22(26-2)11-18(19)17(14-25-20)10-15-9-16-7-5-6-8-21(16)24-13-15/h5-9,11-14H,4,10H2,1-3H3
InChIKeyQMZYGDUGQNRMTH-UHFFFAOYSA-N
XLogP4.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-6,7-dimethoxy-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 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The IUPAC name of 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline (CID 74539265) is 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline.
What is the SMILES notation for 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The canonical SMILES for 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline is CCc1ncc(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12.
What is the InChIKey of 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The InChIKey is QMZYGDUGQNRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-20-19-12-23(27-3)22(26-2)11-18(19)17(14-25-20)10-15-9-16-7-5-6-8-21(16)24-13-15/h5-9,11-14H,4,10H2,1-3H3.
What are the key properties of 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline has a molecular weight of 358.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline is sourced from PubChem (CID 74539265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).