6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde

C11H12N2O — CID 174443777

IUPAC6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESCc1cc2c(cc1N)C=CNC2C=O
InChIInChI=1S/C11H12N2O/c1-7-4-9-8(5-10(7)12)2-3-13-11(9)6-14/h2-6,11,13H,12H2,1H3
InChIKeyZGDSTHZCWQLUGL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds1

About 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde

6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde (PubChem CID 174443777) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde
PubChem CID174443777
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESCc1cc2c(cc1N)C=CNC2C=O
InChIInChI=1S/C11H12N2O/c1-7-4-9-8(5-10(7)12)2-3-13-11(9)6-14/h2-6,11,13H,12H2,1H3
InChIKeyZGDSTHZCWQLUGL-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde 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-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde (CID 174443777) is 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde is Cc1cc2c(cc1N)C=CNC2C=O.
What is the InChIKey of 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is ZGDSTHZCWQLUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-9-8(5-10(7)12)2-3-13-11(9)6-14/h2-6,11,13H,12H2,1H3.
What are the key properties of 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-methyl-1,2-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174443777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).