2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid

C15H13NO6 — CID 121472572

IUPAC2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid
SMILESCC(O)C1(C)OC2=C(C(=O)c3ncccc3C2=O)C1C(=O)O
InChIInChI=1S/C15H13NO6/c1-6(17)15(2)9(14(20)21)8-12(19)10-7(4-3-5-16-10)11(18)13(8)22-15/h3-6,9,17H,1-2H3,(H,20,21)
InChIKeyONYOSDSGKPBSKV-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.59
Rot. Bonds2

About 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid

2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid (PubChem CID 121472572) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid
PubChem CID121472572
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid
SMILESCC(O)C1(C)OC2=C(C(=O)c3ncccc3C2=O)C1C(=O)O
InChIInChI=1S/C15H13NO6/c1-6(17)15(2)9(14(20)21)8-12(19)10-7(4-3-5-16-10)11(18)13(8)22-15/h3-6,9,17H,1-2H3,(H,20,21)
InChIKeyONYOSDSGKPBSKV-UHFFFAOYSA-N
XLogP0.59
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 121472574
4,7-phenanthroline-5,6-dione
CID 6764
sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 162207087
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
CID 82578871
2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
CID 118219007
2-benzoylfuro[3,2-g]quinoline-4,9-dione
CID 142308028
7-methylbenzo[b][1,10]phenanthroline-5,6-dione
CID 176653841
ethyl 2-methyl-4,9-dioxothieno[2,3-g]quinoline-3-carboxylate
CID 121478354
14,14-dimethyl-12,15-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),3,5,7-tetraene-2,9-dione
CID 11086357
7-(1-acetyl-2-imino-3-methyl-5-oxoimidazolidin-4-ylidene)furo[3,4-b]pyridin-5-one
CID 1226929

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid (CID 121472572) is 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid is CC(O)C1(C)OC2=C(C(=O)c3ncccc3C2=O)C1C(=O)O.
What is the InChIKey of 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid?
The InChIKey is ONYOSDSGKPBSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c1-6(17)15(2)9(14(20)21)8-12(19)10-7(4-3-5-16-10)11(18)13(8)22-15/h3-6,9,17H,1-2H3,(H,20,21).
What are the key properties of 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid?
2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-2-methyl-4,9-dioxo-3H-furo[2,3-g]quinoline-3-carboxylic acid is sourced from PubChem (CID 121472572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).