2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid

C11H11ClN2O3 — CID 84635467

IUPAC2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid
SMILESCc1cc(Cl)c2c(c1)NC(CC(=O)O)C(=O)N2
InChIInChI=1S/C11H11ClN2O3/c1-5-2-6(12)10-7(3-5)13-8(4-9(15)16)11(17)14-10/h2-3,8,13H,4H2,1H3,(H,14,17)(H,15,16)
InChIKeyHJQRHIAIRZENHD-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.86
Rot. Bonds2

About 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid

2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid (PubChem CID 84635467) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid
PubChem CID84635467
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid
SMILESCc1cc(Cl)c2c(c1)NC(CC(=O)O)C(=O)N2
InChIInChI=1S/C11H11ClN2O3/c1-5-2-6(12)10-7(3-5)13-8(4-9(15)16)11(17)14-10/h2-3,8,13H,4H2,1H3,(H,14,17)(H,15,16)
InChIKeyHJQRHIAIRZENHD-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid (CID 84635467) is 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid is Cc1cc(Cl)c2c(c1)NC(CC(=O)O)C(=O)N2.
What is the InChIKey of 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid?
The InChIKey is HJQRHIAIRZENHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-5-2-6(12)10-7(3-5)13-8(4-9(15)16)11(17)14-10/h2-3,8,13H,4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid?
2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid has a molecular weight of 254.67 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-methyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid is sourced from PubChem (CID 84635467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).