6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one

C19H19NO4 — CID 11782327

IUPAC6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19NO4/c1-20-11-16(12-5-7-13(22-2)8-6-12)14-9-17(23-3)18(24-4)10-15(14)19(20)21/h5-11H,1-4H3
InChIKeyKAAOBXPDMPYUIT-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.23
Rot. Bonds4

About 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one

6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one (PubChem CID 11782327) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
PubChem CID11782327
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19NO4/c1-20-11-16(12-5-7-13(22-2)8-6-12)14-9-17(23-3)18(24-4)10-15(14)19(20)21/h5-11H,1-4H3
InChIKeyKAAOBXPDMPYUIT-UHFFFAOYSA-N
XLogP3.23
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one (CID 11782327) is 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one is COc1ccc(-c2cn(C)c(=O)c3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
The InChIKey is KAAOBXPDMPYUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-20-11-16(12-5-7-13(22-2)8-6-12)14-9-17(23-3)18(24-4)10-15(14)19(20)21/h5-11H,1-4H3.
What are the key properties of 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one?
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one has a molecular weight of 325.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one is sourced from PubChem (CID 11782327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).