6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline

C22H20N2O2 — CID 74539000

IUPAC6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
SMILESCOc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC
InChIInChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3
InChIKeyHNOPWTCIZSGUED-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.70
Rot. Bonds4

About 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline

6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline (PubChem CID 74539000) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
PubChem CID74539000
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
SMILESCOc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC
InChIInChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3
InChIKeyHNOPWTCIZSGUED-UHFFFAOYSA-N
XLogP4.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.70
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-[(7-methylquinolin-3-yl)methyl]isoquinoline?
The IUPAC name of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline (CID 74539000) is 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline is COc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
The InChIKey is HNOPWTCIZSGUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline?
6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline has a molecular weight of 344.41 g/mol, XLogP of 4.70, 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-[(7-methylquinolin-3-yl)methyl]isoquinoline is sourced from PubChem (CID 74539000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).