5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C11H10N2O4 — CID 66487941

IUPAC5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc(N)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H10N2O4/c1-17-7-3-2-6(12)8-9(7)13-4-5(10(8)14)11(15)16/h2-4H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyXJBCVOOIILWDIO-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 66487941) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID66487941
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc(N)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H10N2O4/c1-17-7-3-2-6(12)8-9(7)13-4-5(10(8)14)11(15)16/h2-4H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyXJBCVOOIILWDIO-UHFFFAOYSA-N
XLogP0.82
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 66487941) is 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1ccc(N)c2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is XJBCVOOIILWDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-7-3-2-6(12)8-9(7)13-4-5(10(8)14)11(15)16/h2-4H,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 66487941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).