2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid

C17H14N2O3 — CID 72724183

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O3/c20-16(21)11-19-15-9-5-4-8-13(15)18-14(17(19)22)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKeyFAQUWIPJKLCRKE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.07
Rot. Bonds4

About 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid

2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid (PubChem CID 72724183) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid
PubChem CID72724183
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O3/c20-16(21)11-19-15-9-5-4-8-13(15)18-14(17(19)22)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKeyFAQUWIPJKLCRKE-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid (CID 72724183) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid is O=C(O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid?
The InChIKey is FAQUWIPJKLCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(21)11-19-15-9-5-4-8-13(15)18-14(17(19)22)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21).
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid?
2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid has a molecular weight of 294.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetic acid is sourced from PubChem (CID 72724183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).