N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide

C13H13N3O5 — CID 133059014

IUPACN-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
SMILESCNC(=O)COc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O
InChIInChI=1S/C13H13N3O5/c1-14-12(17)7-21-11-6-8-5-9(16(19)20)3-4-10(8)15(2)13(11)18/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyNRSVYPGIXWHDHS-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide

N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide (PubChem CID 133059014) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
PubChem CID133059014
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
SMILESCNC(=O)COc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O
InChIInChI=1S/C13H13N3O5/c1-14-12(17)7-21-11-6-8-5-9(16(19)20)3-4-10(8)15(2)13(11)18/h3-6H,7H2,1-2H3,(H,14,17)
InChIKeyNRSVYPGIXWHDHS-UHFFFAOYSA-N
XLogP0.57
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
The IUPAC name of N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide (CID 133059014) is N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide.
What is the SMILES notation for N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
The canonical SMILES for N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide is CNC(=O)COc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O.
What is the InChIKey of N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
The InChIKey is NRSVYPGIXWHDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-14-12(17)7-21-11-6-8-5-9(16(19)20)3-4-10(8)15(2)13(11)18/h3-6H,7H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide has a molecular weight of 291.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide is sourced from PubChem (CID 133059014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).