2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid

C10H10N2O3 — CID 3101125

IUPAC2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
SMILESO=C(O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H10N2O3/c13-9-5-12(6-10(14)15)8-4-2-1-3-7(8)11-9/h1-4H,5-6H2,(H,11,13)(H,14,15)
InChIKeySXJZOGPXQRFWSC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.53
Rot. Bonds2

About 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid (PubChem CID 3101125) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
PubChem CID3101125
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
SMILESO=C(O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H10N2O3/c13-9-5-12(6-10(14)15)8-4-2-1-3-7(8)11-9/h1-4H,5-6H2,(H,11,13)(H,14,15)
InChIKeySXJZOGPXQRFWSC-UHFFFAOYSA-N
XLogP0.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
1,4-Dimethylquinoxaline-2,3-dione
CID 351421
N-Phenyl-1-piperidineacetamide
CID 78402
4-Morpholineacetamide, N-phenyl-
CID 201328
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
1-Methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 21297195
3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 595203
3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 2763642
3,3-dimethyl-1-prop-2-enyl-4H-quinoxalin-2-one
CID 648713
Dimethyl 2,2'-(2,3-dioxo-2,3-dihydroquinoxaline-1,4-diyl)diacetate
CID 1507230
(6,7-Dimethyl-2,3-dioxo-3,4-dihydro-2H-quinoxalin-1-yl)-acetic acid
CID 19808430

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid (CID 3101125) is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid is O=C(O)CN1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
The InChIKey is SXJZOGPXQRFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9-5-12(6-10(14)15)8-4-2-1-3-7(8)11-9/h1-4H,5-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid is sourced from PubChem (CID 3101125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).