2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid

C11H11ClN2O3 — CID 84635455

IUPAC2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2O3/c1-14-9-4-6(12)2-3-7(9)13-8(11(14)17)5-10(15)16/h2-4,8,13H,5H2,1H3,(H,15,16)
InChIKeyVUWHAJUJLPXULV-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.57
Rot. Bonds2

About 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid

2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid (PubChem CID 84635455) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
PubChem CID84635455
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2O3/c1-14-9-4-6(12)2-3-7(9)13-8(11(14)17)5-10(15)16/h2-4,8,13H,5H2,1H3,(H,15,16)
InChIKeyVUWHAJUJLPXULV-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
2-(4,7-dimethyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 54144587
2-(7-bromo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 57221280
(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
CID 124705861
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
2-(4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 20616168
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
2-(10-methyl-4,5-dihydropyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid
CID 15633462
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
2-[4-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
CID 23297768
2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
CID 83850094

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid (CID 84635455) is 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid is CN1C(=O)C(CC(=O)O)Nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
The InChIKey is VUWHAJUJLPXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-14-9-4-6(12)2-3-7(9)13-8(11(14)17)5-10(15)16/h2-4,8,13H,5H2,1H3,(H,15,16).
What are the key properties of 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid has a molecular weight of 254.67 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid is sourced from PubChem (CID 84635455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).