3-(4-methylphenyl)quinoxaline-2-carbaldehyde

C16H12N2O — CID 71559721

IUPAC3-(4-methylphenyl)quinoxaline-2-carbaldehyde
SMILESCc1ccc(-c2nc3ccccc3nc2C=O)cc1
InChIInChI=1S/C16H12N2O/c1-11-6-8-12(9-7-11)16-15(10-19)17-13-4-2-3-5-14(13)18-16/h2-10H,1H3
InChIKeyWNTACJVFCWKOBN-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.42
Rot. Bonds2

About 3-(4-methylphenyl)quinoxaline-2-carbaldehyde

3-(4-methylphenyl)quinoxaline-2-carbaldehyde (PubChem CID 71559721) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)quinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylphenyl)quinoxaline-2-carbaldehyde
PubChem CID71559721
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name3-(4-methylphenyl)quinoxaline-2-carbaldehyde
SMILESCc1ccc(-c2nc3ccccc3nc2C=O)cc1
InChIInChI=1S/C16H12N2O/c1-11-6-8-12(9-7-11)16-15(10-19)17-13-4-2-3-5-14(13)18-16/h2-10H,1H3
InChIKeyWNTACJVFCWKOBN-UHFFFAOYSA-N
XLogP3.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-formylquinoxalin-2-yl)benzonitrile
CID 71559845
3-methylquinoxaline-2-carbaldehyde
CID 588800
6-(4-methylphenyl)phenanthridine
CID 10707098
3-methylquinoline-2-carbaldehyde
CID 22832126
5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 82373917
2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol
CID 23910902
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
6-iodo-2-(4-methylphenyl)-3-phenylquinoxaline
CID 70894334
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702
CID 88892730
CID 88892730
bromo-[4-[[3-(4-methylphenyl)quinoxalin-2-yl]methyl]phenyl]-diphenylphosphanium
CID 133064299
4-(4-methylphenyl)-5-propan-2-yl-1H-imidazole-2-carbaldehyde
CID 105485729

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)quinoxaline-2-carbaldehyde?
The IUPAC name of 3-(4-methylphenyl)quinoxaline-2-carbaldehyde (CID 71559721) is 3-(4-methylphenyl)quinoxaline-2-carbaldehyde.
What is the SMILES notation for 3-(4-methylphenyl)quinoxaline-2-carbaldehyde?
The canonical SMILES for 3-(4-methylphenyl)quinoxaline-2-carbaldehyde is Cc1ccc(-c2nc3ccccc3nc2C=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)quinoxaline-2-carbaldehyde?
The InChIKey is WNTACJVFCWKOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-11-6-8-12(9-7-11)16-15(10-19)17-13-4-2-3-5-14(13)18-16/h2-10H,1H3.
What are the key properties of 3-(4-methylphenyl)quinoxaline-2-carbaldehyde?
3-(4-methylphenyl)quinoxaline-2-carbaldehyde has a molecular weight of 248.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)quinoxaline-2-carbaldehyde is sourced from PubChem (CID 71559721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).