5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid

C14H10N2O5 — CID 104607120

IUPAC5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(C(=O)O)co2)c2ccccc2N1
InChIInChI=1S/C14H10N2O5/c17-12-6-16(10-4-2-1-3-9(10)15-12)13(18)11-5-8(7-21-11)14(19)20/h1-5,7H,6H2,(H,15,17)(H,19,20)
InChIKeyOATQVZQNCRTIBD-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.58
Rot. Bonds2

About 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid

5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid (PubChem CID 104607120) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
PubChem CID104607120
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(C(=O)O)co2)c2ccccc2N1
InChIInChI=1S/C14H10N2O5/c17-12-6-16(10-4-2-1-3-9(10)15-12)13(18)11-5-8(7-21-11)14(19)20/h1-5,7H,6H2,(H,15,17)(H,19,20)
InChIKeyOATQVZQNCRTIBD-UHFFFAOYSA-N
XLogP1.58
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 30398183
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid (CID 104607120) is 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid is O=C1CN(C(=O)c2cc(C(=O)O)co2)c2ccccc2N1.
What is the InChIKey of 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is OATQVZQNCRTIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-12-6-16(10-4-2-1-3-9(10)15-12)13(18)11-5-8(7-21-11)14(19)20/h1-5,7H,6H2,(H,15,17)(H,19,20).
What are the key properties of 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).