N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide

C12H11N3O4 — CID 54677750

IUPACN'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H11N3O4/c1-13-11(18)12(19)15-8-9(16)6-4-2-3-5-7(6)14-10(8)17/h2-5H,1H3,(H,13,18)(H,15,19)(H2,14,16,17)
InChIKeyLMCQQYXXAIZWJW-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.08
Rot. Bonds1

About N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide

N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide (PubChem CID 54677750) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide
PubChem CID54677750
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H11N3O4/c1-13-11(18)12(19)15-8-9(16)6-4-2-3-5-7(6)14-10(8)17/h2-5H,1H3,(H,13,18)(H,15,19)(H2,14,16,17)
InChIKeyLMCQQYXXAIZWJW-UHFFFAOYSA-N
XLogP-0.08
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide?
The IUPAC name of N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide (CID 54677750) is N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide.
What is the SMILES notation for N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide?
The canonical SMILES for N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide is CNC(=O)C(=O)Nc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide?
The InChIKey is LMCQQYXXAIZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-13-11(18)12(19)15-8-9(16)6-4-2-3-5-7(6)14-10(8)17/h2-5H,1H3,(H,13,18)(H,15,19)(H2,14,16,17).
What are the key properties of N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide?
N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide has a molecular weight of 261.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-methyloxamide is sourced from PubChem (CID 54677750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).