3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid

C11H8N2O5 — CID 110170988

IUPAC3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid
SMILESO=CNc1c(O)c2ccc(C(=O)O)cc2[nH]c1=O
InChIInChI=1S/C11H8N2O5/c14-4-12-8-9(15)6-2-1-5(11(17)18)3-7(6)13-10(8)16/h1-4H,(H,12,14)(H,17,18)(H2,13,15,16)
InChIKeyBYGIIXOJGOOBSD-UHFFFAOYSA-N
MW248.19 g/mol
LogP0.50
Rot. Bonds3

About 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid

3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid (PubChem CID 110170988) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid
PubChem CID110170988
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid
SMILESO=CNc1c(O)c2ccc(C(=O)O)cc2[nH]c1=O
InChIInChI=1S/C11H8N2O5/c14-4-12-8-9(15)6-2-1-5(11(17)18)3-7(6)13-10(8)16/h1-4H,(H,12,14)(H,17,18)(H2,13,15,16)
InChIKeyBYGIIXOJGOOBSD-UHFFFAOYSA-N
XLogP0.50
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
CID 54737899
1,3-dihydroxy-2H-isoindole-5-carboxylic acid
CID 170693608
4-formamido-3-hydroxybenzoic acid
CID 56997255
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate
CID 54713776
4-amino-9H-pyrimido[4,5-b]indole-7-carboxylic acid
CID 175364145
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
1-(5-hydroxy-2,3-dioxo-1H-1-benzazepin-4-yl)-3-(2,4,6-triiodophenyl)urea
CID 54500803
4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid
CID 58485160

Frequently Asked Questions

What is the IUPAC name of 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid?
The IUPAC name of 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid (CID 110170988) is 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid.
What is the SMILES notation for 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid?
The canonical SMILES for 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid is O=CNc1c(O)c2ccc(C(=O)O)cc2[nH]c1=O.
What is the InChIKey of 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid?
The InChIKey is BYGIIXOJGOOBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c14-4-12-8-9(15)6-2-1-5(11(17)18)3-7(6)13-10(8)16/h1-4H,(H,12,14)(H,17,18)(H2,13,15,16).
What are the key properties of 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid?
3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid is sourced from PubChem (CID 110170988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).