2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid

C15H12N2O4 — CID 43477306

IUPAC2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(Cn2c(=O)cnc3ccccc32)cc1C(=O)O
InChIInChI=1S/C15H12N2O4/c1-9-11(15(19)20)6-10(21-9)8-17-13-5-3-2-4-12(13)16-7-14(17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVVQUGDUKRQHPFE-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid

2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 43477306) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID43477306
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(Cn2c(=O)cnc3ccccc32)cc1C(=O)O
InChIInChI=1S/C15H12N2O4/c1-9-11(15(19)20)6-10(21-9)8-17-13-5-3-2-4-12(13)16-7-14(17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyVVQUGDUKRQHPFE-UHFFFAOYSA-N
XLogP2.04
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid (CID 43477306) is 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid is Cc1oc(Cn2c(=O)cnc3ccccc32)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is VVQUGDUKRQHPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-11(15(19)20)6-10(21-9)8-17-13-5-3-2-4-12(13)16-7-14(17)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid?
2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).