5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid

C14H16N2O5 — CID 120549731

IUPAC5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(C(=O)O)co2)C2CCCCC2N1
InChIInChI=1S/C14H16N2O5/c17-12-6-16(10-4-2-1-3-9(10)15-12)13(18)11-5-8(7-21-11)14(19)20/h5,7,9-10H,1-4,6H2,(H,15,17)(H,19,20)
InChIKeyUVCASJBVWTZYIZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.86
Rot. Bonds2

About 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid

5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid (PubChem CID 120549731) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
PubChem CID120549731
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(C(=O)O)co2)C2CCCCC2N1
InChIInChI=1S/C14H16N2O5/c17-12-6-16(10-4-2-1-3-9(10)15-12)13(18)11-5-8(7-21-11)14(19)20/h5,7,9-10H,1-4,6H2,(H,15,17)(H,19,20)
InChIKeyUVCASJBVWTZYIZ-UHFFFAOYSA-N
XLogP0.86
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid with MolForge

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Related Compounds

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)furan-3-carboxylic acid
CID 113432299
5-[(4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl]thiophene-2-carboxylic acid
CID 125120150
(4aS,8aS)-4-(2-methylpyrazole-3-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 100645424
(4aR,8aR)-4-(2-phenyl-1,3-oxazole-4-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97224510
(4aR,8aR)-4-(5-methylpyridine-3-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97224542
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)furan-3-carboxylic acid
CID 104607794
5-[(4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 97076194
4-(5-amino-2-methylbenzoyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one;hydrochloride
CID 120628552
(4aR,8aS)-4-(2-methylsulfanylbenzoyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 99841195
(4aR,8aR)-4-(6-pyrazol-1-ylpyridine-2-carbonyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97078533
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 104606942
4-(cycloheptanecarbonyl)furan-2-carboxylic acid
CID 84727277

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid (CID 120549731) is 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-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-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is UVCASJBVWTZYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12-6-16(10-4-2-1-3-9(10)15-12)13(18)11-5-8(7-21-11)14(19)20/h5,7,9-10H,1-4,6H2,(H,15,17)(H,19,20).
What are the key properties of 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid?
5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120549731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).