6-methylquinoxaline;quinoxaline-6-carbaldehyde

C18H14N4O — CID 157496961

IUPAC6-methylquinoxaline;quinoxaline-6-carbaldehyde
SMILESCc1ccc2nccnc2c1.O=Cc1ccc2nccnc2c1
InChIInChI=1S/C9H6N2O.C9H8N2/c12-6-7-1-2-8-9(5-7)11-4-3-10-8;1-7-2-3-8-9(6-7)11-5-4-10-8/h1-6H;2-6H,1H3
InChIKeyBXYIAESXOOXEKT-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.38
Rot. Bonds1

About 6-methylquinoxaline;quinoxaline-6-carbaldehyde

6-methylquinoxaline;quinoxaline-6-carbaldehyde (PubChem CID 157496961) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-methylquinoxaline;quinoxaline-6-carbaldehyde.

Molecular Properties

Compound Name6-methylquinoxaline;quinoxaline-6-carbaldehyde
PubChem CID157496961
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name6-methylquinoxaline;quinoxaline-6-carbaldehyde
SMILESCc1ccc2nccnc2c1.O=Cc1ccc2nccnc2c1
InChIInChI=1S/C9H6N2O.C9H8N2/c12-6-7-1-2-8-9(5-7)11-4-3-10-8;1-7-2-3-8-9(6-7)11-5-4-10-8/h1-6H;2-6H,1H3
InChIKeyBXYIAESXOOXEKT-UHFFFAOYSA-N
XLogP3.38
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylquinoxaline;quinoxaline-6-carbaldehyde?
The IUPAC name of 6-methylquinoxaline;quinoxaline-6-carbaldehyde (CID 157496961) is 6-methylquinoxaline;quinoxaline-6-carbaldehyde.
What is the SMILES notation for 6-methylquinoxaline;quinoxaline-6-carbaldehyde?
The canonical SMILES for 6-methylquinoxaline;quinoxaline-6-carbaldehyde is Cc1ccc2nccnc2c1.O=Cc1ccc2nccnc2c1.
What is the InChIKey of 6-methylquinoxaline;quinoxaline-6-carbaldehyde?
The InChIKey is BXYIAESXOOXEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O.C9H8N2/c12-6-7-1-2-8-9(5-7)11-4-3-10-8;1-7-2-3-8-9(6-7)11-5-4-10-8/h1-6H;2-6H,1H3.
What are the key properties of 6-methylquinoxaline;quinoxaline-6-carbaldehyde?
6-methylquinoxaline;quinoxaline-6-carbaldehyde has a molecular weight of 302.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinoxaline;quinoxaline-6-carbaldehyde is sourced from PubChem (CID 157496961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).