bis(2-methylquinoxaline);hydrate

C18H18N4O — CID 118096878

IUPACbis(2-methylquinoxaline);hydrate
SMILESCc1cnc2ccccc2n1.Cc1cnc2ccccc2n1.O
InChIInChI=1S/2C9H8N2.H2O/c2*1-7-6-10-8-4-2-3-5-9(8)11-7;/h2*2-6H,1H3;1H2
InChIKeyQXVSGNQAZIRJRB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.05
Rot. Bonds

About bis(2-methylquinoxaline);hydrate

bis(2-methylquinoxaline);hydrate (PubChem CID 118096878) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is bis(2-methylquinoxaline);hydrate.

Molecular Properties

Compound Namebis(2-methylquinoxaline);hydrate
PubChem CID118096878
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Namebis(2-methylquinoxaline);hydrate
SMILESCc1cnc2ccccc2n1.Cc1cnc2ccccc2n1.O
InChIInChI=1S/2C9H8N2.H2O/c2*1-7-6-10-8-4-2-3-5-9(8)11-7;/h2*2-6H,1H3;1H2
InChIKeyQXVSGNQAZIRJRB-UHFFFAOYSA-N
XLogP3.05
TPSA83.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylquinoxaline);hydrate?
The IUPAC name of bis(2-methylquinoxaline);hydrate (CID 118096878) is bis(2-methylquinoxaline);hydrate.
What is the SMILES notation for bis(2-methylquinoxaline);hydrate?
The canonical SMILES for bis(2-methylquinoxaline);hydrate is Cc1cnc2ccccc2n1.Cc1cnc2ccccc2n1.O.
What is the InChIKey of bis(2-methylquinoxaline);hydrate?
The InChIKey is QXVSGNQAZIRJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N2.H2O/c2*1-7-6-10-8-4-2-3-5-9(8)11-7;/h2*2-6H,1H3;1H2.
What are the key properties of bis(2-methylquinoxaline);hydrate?
bis(2-methylquinoxaline);hydrate has a molecular weight of 306.37 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylquinoxaline);hydrate is sourced from PubChem (CID 118096878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).