2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid

C12H14N2O3 — CID 84627682

IUPAC2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
SMILESCc1ccc2c(c1)N(C)C(CC(=O)O)C(=O)N2
InChIInChI=1S/C12H14N2O3/c1-7-3-4-8-9(5-7)14(2)10(6-11(15)16)12(17)13-8/h3-5,10H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRMEGZAJRJXLRCS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.23
Rot. Bonds2

About 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid

2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid (PubChem CID 84627682) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
PubChem CID84627682
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
SMILESCc1ccc2c(c1)N(C)C(CC(=O)O)C(=O)N2
InChIInChI=1S/C12H14N2O3/c1-7-3-4-8-9(5-7)14(2)10(6-11(15)16)12(17)13-8/h3-5,10H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRMEGZAJRJXLRCS-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid (CID 84627682) is 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid is Cc1ccc2c(c1)N(C)C(CC(=O)O)C(=O)N2.
What is the InChIKey of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
The InChIKey is RMEGZAJRJXLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-3-4-8-9(5-7)14(2)10(6-11(15)16)12(17)13-8/h3-5,10H,6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid?
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid is sourced from PubChem (CID 84627682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).