3H-quinoxalin-2-one;hydrochloride

C8H7ClN2O — CID 171485667

IUPAC3H-quinoxalin-2-one;hydrochloride
SMILESCl.O=C1CN=c2ccccc2=N1
InChIInChI=1S/C8H6N2O.ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1-4H,5H2;1H
InChIKeyMZSNAZGQFBJBEO-UHFFFAOYSA-N
MW182.61 g/mol
LogP-0.11
Rot. Bonds

About 3H-quinoxalin-2-one;hydrochloride

3H-quinoxalin-2-one;hydrochloride (PubChem CID 171485667) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 3H-quinoxalin-2-one;hydrochloride.

Molecular Properties

Compound Name3H-quinoxalin-2-one;hydrochloride
PubChem CID171485667
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name3H-quinoxalin-2-one;hydrochloride
SMILESCl.O=C1CN=c2ccccc2=N1
InChIInChI=1S/C8H6N2O.ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1-4H,5H2;1H
InChIKeyMZSNAZGQFBJBEO-UHFFFAOYSA-N
XLogP-0.11
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-quinoxalin-2-one;hydrochloride?
The IUPAC name of 3H-quinoxalin-2-one;hydrochloride (CID 171485667) is 3H-quinoxalin-2-one;hydrochloride.
What is the SMILES notation for 3H-quinoxalin-2-one;hydrochloride?
The canonical SMILES for 3H-quinoxalin-2-one;hydrochloride is Cl.O=C1CN=c2ccccc2=N1.
What is the InChIKey of 3H-quinoxalin-2-one;hydrochloride?
The InChIKey is MZSNAZGQFBJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1-4H,5H2;1H.
What are the key properties of 3H-quinoxalin-2-one;hydrochloride?
3H-quinoxalin-2-one;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-quinoxalin-2-one;hydrochloride is sourced from PubChem (CID 171485667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).