6-methoxy-3,3-dimethyl-4H-isoquinoline

C12H15NO — CID 15337117

IUPAC6-methoxy-3,3-dimethyl-4H-isoquinoline
SMILESCOc1ccc2c(c1)CC(C)(C)N=C2
InChIInChI=1S/C12H15NO/c1-12(2)7-10-6-11(14-3)5-4-9(10)8-13-12/h4-6,8H,7H2,1-3H3
InChIKeyQDWBJIVIHDPNQC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds1

About 6-methoxy-3,3-dimethyl-4H-isoquinoline

6-methoxy-3,3-dimethyl-4H-isoquinoline (PubChem CID 15337117) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-4H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-4H-isoquinoline
PubChem CID15337117
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-methoxy-3,3-dimethyl-4H-isoquinoline
SMILESCOc1ccc2c(c1)CC(C)(C)N=C2
InChIInChI=1S/C12H15NO/c1-12(2)7-10-6-11(14-3)5-4-9(10)8-13-12/h4-6,8H,7H2,1-3H3
InChIKeyQDWBJIVIHDPNQC-UHFFFAOYSA-N
XLogP2.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3,3-dimethyl-4H-isoquinoline 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-methoxy-3,3-dimethyl-4H-isoquinoline?
The IUPAC name of 6-methoxy-3,3-dimethyl-4H-isoquinoline (CID 15337117) is 6-methoxy-3,3-dimethyl-4H-isoquinoline.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-4H-isoquinoline?
The canonical SMILES for 6-methoxy-3,3-dimethyl-4H-isoquinoline is COc1ccc2c(c1)CC(C)(C)N=C2.
What is the InChIKey of 6-methoxy-3,3-dimethyl-4H-isoquinoline?
The InChIKey is QDWBJIVIHDPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)7-10-6-11(14-3)5-4-9(10)8-13-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-4H-isoquinoline?
6-methoxy-3,3-dimethyl-4H-isoquinoline has a molecular weight of 189.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-4H-isoquinoline is sourced from PubChem (CID 15337117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).