3,7-dichloro-1H-quinoxalin-2-one

C8H4Cl2N2O — CID 131843116

IUPAC3,7-dichloro-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-2-5-6(3-4)12-8(13)7(10)11-5/h1-3H,(H,12,13)
InChIKeySSHQYSDYXBXKEC-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.23
Rot. Bonds

About 3,7-dichloro-1H-quinoxalin-2-one

3,7-dichloro-1H-quinoxalin-2-one (PubChem CID 131843116) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 3,7-dichloro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,7-dichloro-1H-quinoxalin-2-one
PubChem CID131843116
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name3,7-dichloro-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-2-5-6(3-4)12-8(13)7(10)11-5/h1-3H,(H,12,13)
InChIKeySSHQYSDYXBXKEC-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
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1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934
7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493813
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
CID 138709563
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545
7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493809

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-1H-quinoxalin-2-one?
The IUPAC name of 3,7-dichloro-1H-quinoxalin-2-one (CID 131843116) is 3,7-dichloro-1H-quinoxalin-2-one.
What is the SMILES notation for 3,7-dichloro-1H-quinoxalin-2-one?
The canonical SMILES for 3,7-dichloro-1H-quinoxalin-2-one is O=c1[nH]c2cc(Cl)ccc2nc1Cl.
What is the InChIKey of 3,7-dichloro-1H-quinoxalin-2-one?
The InChIKey is SSHQYSDYXBXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-4-1-2-5-6(3-4)12-8(13)7(10)11-5/h1-3H,(H,12,13).
What are the key properties of 3,7-dichloro-1H-quinoxalin-2-one?
3,7-dichloro-1H-quinoxalin-2-one has a molecular weight of 215.04 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-1H-quinoxalin-2-one is sourced from PubChem (CID 131843116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).