6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one

C15H19NO3 — CID 14067807

IUPAC6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one
SMILESCCCc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C15H19NO3/c1-5-6-10-12-8-14(19-4)13(18-3)7-11(12)9(2)16-15(10)17/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeySOIFZWHYVKHNMB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.81
Rot. Bonds4

About 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one

6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one (PubChem CID 14067807) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one
PubChem CID14067807
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one
SMILESCCCc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C15H19NO3/c1-5-6-10-12-8-14(19-4)13(18-3)7-11(12)9(2)16-15(10)17/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeySOIFZWHYVKHNMB-UHFFFAOYSA-N
XLogP2.81
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one 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 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one?
The IUPAC name of 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one (CID 14067807) is 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one?
The canonical SMILES for 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one is CCCc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one?
The InChIKey is SOIFZWHYVKHNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-6-10-12-8-14(19-4)13(18-3)7-11(12)9(2)16-15(10)17/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one?
6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one has a molecular weight of 261.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-4-propyl-2H-isoquinolin-3-one is sourced from PubChem (CID 14067807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).