2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid

C10H6Cl2N2O4 — CID 19958555

IUPAC2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H6Cl2N2O4/c11-4-1-6-7(2-5(4)12)14(3-8(15)16)10(18)9(17)13-6/h1-2H,3H2,(H,13,17)(H,15,16)
InChIKeyOKEMOMYHVKJOQR-UHFFFAOYSA-N
MW289.07 g/mol
LogP1.08
Rot. Bonds2

About 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid

2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid (PubChem CID 19958555) has the molecular formula C10H6Cl2N2O4 and a molecular weight of 289.07 g/mol. Its IUPAC name is 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
PubChem CID19958555
Molecular FormulaC10H6Cl2N2O4
Molecular Weight289.07 g/mol
Exact Mass287.97
IUPAC Name2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H6Cl2N2O4/c11-4-1-6-7(2-5(4)12)14(3-8(15)16)10(18)9(17)13-6/h1-2H,3H2,(H,13,17)(H,15,16)
InChIKeyOKEMOMYHVKJOQR-UHFFFAOYSA-N
XLogP1.08
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroxy-6,7-dichloroquinoxaline
CID 1845
7-Chloro-3,4-dihydro-1H-quinoxalin-2-one
CID 285323
8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one
CID 3906894
5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione
CID 10849325
(R)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 6604916
5-Amino-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione
CID 10800420
(S)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 12986493
2-[(6,7-Dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid
CID 22096990
N-(3,4-Dichloro-phenyl)-2-morpholin-4-yl-acetamide
CID 23724340
6-Chloro-3,4-dihydroquinoxalin-2(1h)-one
CID 283527
6,7-dichloro-N-hydroxy-1,4-dihydroquinoxaline-2,3-dione
CID 10105992
N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 5310159

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid (CID 19958555) is 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid is O=C(O)Cn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The InChIKey is OKEMOMYHVKJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O4/c11-4-1-6-7(2-5(4)12)14(3-8(15)16)10(18)9(17)13-6/h1-2H,3H2,(H,13,17)(H,15,16).
What are the key properties of 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid has a molecular weight of 289.07 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid is sourced from PubChem (CID 19958555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).