1H-quinoxalin-2-one;dihydrochloride

C8H8Cl2N2O — CID 141445979

IUPAC1H-quinoxalin-2-one;dihydrochloride
SMILESCl.Cl.O=c1cnc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.2ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;;/h1-5H,(H,10,11);2*1H
InChIKeyLKRWOWQKGSJJRG-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.77
Rot. Bonds

About 1H-quinoxalin-2-one;dihydrochloride

1H-quinoxalin-2-one;dihydrochloride (PubChem CID 141445979) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 1H-quinoxalin-2-one;dihydrochloride.

Molecular Properties

Compound Name1H-quinoxalin-2-one;dihydrochloride
PubChem CID141445979
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name1H-quinoxalin-2-one;dihydrochloride
SMILESCl.Cl.O=c1cnc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.2ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;;/h1-5H,(H,10,11);2*1H
InChIKeyLKRWOWQKGSJJRG-UHFFFAOYSA-N
XLogP1.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-quinoxalin-2-one;dihydrochloride?
The IUPAC name of 1H-quinoxalin-2-one;dihydrochloride (CID 141445979) is 1H-quinoxalin-2-one;dihydrochloride.
What is the SMILES notation for 1H-quinoxalin-2-one;dihydrochloride?
The canonical SMILES for 1H-quinoxalin-2-one;dihydrochloride is Cl.Cl.O=c1cnc2ccccc2[nH]1.
What is the InChIKey of 1H-quinoxalin-2-one;dihydrochloride?
The InChIKey is LKRWOWQKGSJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.2ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;;/h1-5H,(H,10,11);2*1H.
What are the key properties of 1H-quinoxalin-2-one;dihydrochloride?
1H-quinoxalin-2-one;dihydrochloride has a molecular weight of 219.07 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinoxalin-2-one;dihydrochloride is sourced from PubChem (CID 141445979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).