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

C21H18N2O2 — CID 74538990

IUPAC6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCOc1cc2cncc(Cc3cnc4ccccc4c3)c2cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-20-9-17-13-22-12-16(18(17)10-21(20)25-2)8-14-7-15-5-3-4-6-19(15)23-11-14/h3-7,9-13H,8H2,1-2H3
InChIKeyJQYGIJFYZZVSDE-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.39
Rot. Bonds4

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

6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline (PubChem CID 74538990) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
PubChem CID74538990
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
SMILESCOc1cc2cncc(Cc3cnc4ccccc4c3)c2cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-20-9-17-13-22-12-16(18(17)10-21(20)25-2)8-14-7-15-5-3-4-6-19(15)23-11-14/h3-7,9-13H,8H2,1-2H3
InChIKeyJQYGIJFYZZVSDE-UHFFFAOYSA-N
XLogP4.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The IUPAC name of 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline (CID 74538990) is 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline is COc1cc2cncc(Cc3cnc4ccccc4c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
The InChIKey is JQYGIJFYZZVSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-20-9-17-13-22-12-16(18(17)10-21(20)25-2)8-14-7-15-5-3-4-6-19(15)23-11-14/h3-7,9-13H,8H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline?
6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline has a molecular weight of 330.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline is sourced from PubChem (CID 74538990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).