5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde

C13H13NO2 — CID 84681062

IUPAC5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
SMILESCOc1c(C=O)ccc2c(C)nc(C)cc12
InChIInChI=1S/C13H13NO2/c1-8-6-12-11(9(2)14-8)5-4-10(7-15)13(12)16-3/h4-7H,1-3H3
InChIKeyVXVHHHVDHGJYPH-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.67
Rot. Bonds2

About 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde

5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde (PubChem CID 84681062) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
PubChem CID84681062
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
SMILESCOc1c(C=O)ccc2c(C)nc(C)cc12
InChIInChI=1S/C13H13NO2/c1-8-6-12-11(9(2)14-8)5-4-10(7-15)13(12)16-3/h4-7H,1-3H3
InChIKeyVXVHHHVDHGJYPH-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
CID 84652102
5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84670071
5-methoxyisoquinoline-6-carbaldehyde
CID 84660978
ethane;4-ethyl-3-methoxy-2,6-dimethylpyridine
CID 144795735
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393
4-methoxy-2,3-dimethylindazole-5-carbaldehyde
CID 117110344
5,8-dimethoxy-3-methylisoquinoline-1-carbaldehyde
CID 53392577
4-methoxy-1-benzothiophene-5-carbaldehyde
CID 18542549
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde?
The IUPAC name of 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde (CID 84681062) is 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde.
What is the SMILES notation for 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde?
The canonical SMILES for 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde is COc1c(C=O)ccc2c(C)nc(C)cc12.
What is the InChIKey of 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde?
The InChIKey is VXVHHHVDHGJYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-6-12-11(9(2)14-8)5-4-10(7-15)13(12)16-3/h4-7H,1-3H3.
What are the key properties of 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde?
5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde is sourced from PubChem (CID 84681062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).