5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde

C17H18N2O — CID 80638315

IUPAC5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1c2ccccc2CCC1C
InChIInChI=1S/C17H18N2O/c1-12-9-14(11-20)10-18-17(12)19-13(2)7-8-15-5-3-4-6-16(15)19/h3-6,9-11,13H,7-8H2,1-2H3
InChIKeyILYYVVJZLGQNDR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.68
Rot. Bonds2

About 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde

5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80638315) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde
PubChem CID80638315
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1c2ccccc2CCC1C
InChIInChI=1S/C17H18N2O/c1-12-9-14(11-20)10-18-17(12)19-13(2)7-8-15-5-3-4-6-16(15)19/h3-6,9-11,13H,7-8H2,1-2H3
InChIKeyILYYVVJZLGQNDR-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-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 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde (CID 80638315) is 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N1c2ccccc2CCC1C.
What is the InChIKey of 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is ILYYVVJZLGQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-9-14(11-20)10-18-17(12)19-13(2)7-8-15-5-3-4-6-16(15)19/h3-6,9-11,13H,7-8H2,1-2H3.
What are the key properties of 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde?
5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 266.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80638315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).