3H-quinoxalin-2-one;dihydrochloride

C8H8Cl2N2O — CID 160758576

IUPAC3H-quinoxalin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CN=c2ccccc2=N1
InChIInChI=1S/C8H6N2O.2ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;;/h1-4H,5H2;2*1H
InChIKeyRXTGDKSISDUMDK-UHFFFAOYSA-N
MW219.07 g/mol
LogP0.31
Rot. Bonds

About 3H-quinoxalin-2-one;dihydrochloride

3H-quinoxalin-2-one;dihydrochloride (PubChem CID 160758576) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 3H-quinoxalin-2-one;dihydrochloride.

Molecular Properties

Compound Name3H-quinoxalin-2-one;dihydrochloride
PubChem CID160758576
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name3H-quinoxalin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CN=c2ccccc2=N1
InChIInChI=1S/C8H6N2O.2ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;;/h1-4H,5H2;2*1H
InChIKeyRXTGDKSISDUMDK-UHFFFAOYSA-N
XLogP0.31
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoxalinedione
CID 11469229
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
3-Oxochinoxalin
CID 57169914
6-Chloroquinoxaline-2,3-dione
CID 70258835
7-bromo-3H-quinoxalin-2-one
CID 71773260
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
6-fluoro-3H-quinoxalin-2-one
CID 71773273
Quinoxaline-2,3-dione;hydrate
CID 18329724
3-chloro-3H-quinoxalin-2-one
CID 72207450
3-oxo-2H-quinoxaline-2-carbonitrile
CID 73176674
3-ethyl-3H-quinoxalin-2-one
CID 76845291

Frequently Asked Questions

What is the IUPAC name of 3H-quinoxalin-2-one;dihydrochloride?
The IUPAC name of 3H-quinoxalin-2-one;dihydrochloride (CID 160758576) is 3H-quinoxalin-2-one;dihydrochloride.
What is the SMILES notation for 3H-quinoxalin-2-one;dihydrochloride?
The canonical SMILES for 3H-quinoxalin-2-one;dihydrochloride is Cl.Cl.O=C1CN=c2ccccc2=N1.
What is the InChIKey of 3H-quinoxalin-2-one;dihydrochloride?
The InChIKey is RXTGDKSISDUMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.2ClH/c11-8-5-9-6-3-1-2-4-7(6)10-8;;/h1-4H,5H2;2*1H.
What are the key properties of 3H-quinoxalin-2-one;dihydrochloride?
3H-quinoxalin-2-one;dihydrochloride has a molecular weight of 219.07 g/mol, XLogP of 0.31, 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;dihydrochloride is sourced from PubChem (CID 160758576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).