8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline

C20H16N2O2 — CID 15264482

IUPAC8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline
SMILESCOc1cccc2ccnc(-c3nccc4cccc(OC)c34)c12
InChIInChI=1S/C20H16N2O2/c1-23-15-7-3-5-13-9-11-21-19(17(13)15)20-18-14(10-12-22-20)6-4-8-16(18)24-2/h3-12H,1-2H3
InChIKeyVBZUTCKYTPMDRH-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.47
Rot. Bonds3

About 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline

8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline (PubChem CID 15264482) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline.

Molecular Properties

Compound Name8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline
PubChem CID15264482
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline
SMILESCOc1cccc2ccnc(-c3nccc4cccc(OC)c34)c12
InChIInChI=1S/C20H16N2O2/c1-23-15-7-3-5-13-9-11-21-19(17(13)15)20-18-14(10-12-22-20)6-4-8-16(18)24-2/h3-12H,1-2H3
InChIKeyVBZUTCKYTPMDRH-UHFFFAOYSA-N
XLogP4.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline?
The IUPAC name of 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline (CID 15264482) is 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline.
What is the SMILES notation for 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline?
The canonical SMILES for 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline is COc1cccc2ccnc(-c3nccc4cccc(OC)c34)c12.
What is the InChIKey of 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline?
The InChIKey is VBZUTCKYTPMDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-23-15-7-3-5-13-9-11-21-19(17(13)15)20-18-14(10-12-22-20)6-4-8-16(18)24-2/h3-12H,1-2H3.
What are the key properties of 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline?
8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline has a molecular weight of 316.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(8-methoxyisoquinolin-1-yl)isoquinoline is sourced from PubChem (CID 15264482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).