1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde

C12H15NO — CID 174566628

IUPAC1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
SMILESCC1CN(C)c2ccccc2C1C=O
InChIInChI=1S/C12H15NO/c1-9-7-13(2)12-6-4-3-5-10(12)11(9)8-14/h3-6,8-9,11H,7H2,1-2H3
InChIKeyVNNSXNHRZATRGX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.06
Rot. Bonds1

About 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde

1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde (PubChem CID 174566628) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
PubChem CID174566628
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
SMILESCC1CN(C)c2ccccc2C1C=O
InChIInChI=1S/C12H15NO/c1-9-7-13(2)12-6-4-3-5-10(12)11(9)8-14/h3-6,8-9,11H,7H2,1-2H3
InChIKeyVNNSXNHRZATRGX-UHFFFAOYSA-N
XLogP2.06
TPSA20.31 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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-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 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde (CID 174566628) is 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde is CC1CN(C)c2ccccc2C1C=O.
What is the InChIKey of 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The InChIKey is VNNSXNHRZATRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-13(2)12-6-4-3-5-10(12)11(9)8-14/h3-6,8-9,11H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde is sourced from PubChem (CID 174566628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).