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

C13H13N3O5 — CID 155142425

IUPAC2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
SMILES[2H]C([2H])(Oc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O)C(=O)NC
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)/i7D2
InChIKeyNRSVYPGIXWHDHS-RJSZUWSASA-N
MW293.28 g/mol
LogP0.57
Rot. Bonds4

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

2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide (PubChem CID 155142425) has the molecular formula C13H13N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide.

Molecular Properties

Compound Name2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
PubChem CID155142425
Molecular FormulaC13H13N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide
SMILES[2H]C([2H])(Oc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O)C(=O)NC
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)/i7D2
InChIKeyNRSVYPGIXWHDHS-RJSZUWSASA-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 ≤ 500293.28
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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Related Compounds

N-methyl-2-[1-methyl-6-(methylamino)-2-oxoquinolin-3-yl]oxyacetamide
CID 164924792
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)oxy-N-methylacetamide
CID 142606269
ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide
CID 142374989
N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620
methyl 2-(6-amino-1-methyl-2-oxoquinolin-3-yl)sulfanylacetate;methyl 2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)sulfanylacetate
CID 159910472
1-methyl-6-nitroquinazolin-2-one
CID 135386678
methyl 2-methyl-5-nitroindole-1-carboxylate
CID 174684425
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
N-methyl-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide
CID 3318291
1-(1-methyl-5-nitroindol-2-yl)pyrrolidine-2,5-dione
CID 122233175
1-(4-chlorobutyl)-4-methyl-6-nitroquinoxaline-2,3-dione
CID 122177686
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
The IUPAC name of 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide (CID 155142425) is 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide.
What is the SMILES notation for 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
The canonical SMILES for 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide is [2H]C([2H])(Oc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O)C(=O)NC.
What is the InChIKey of 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
The InChIKey is NRSVYPGIXWHDHS-RJSZUWSASA-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)/i7D2.
What are the key properties of 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide?
2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide has a molecular weight of 293.28 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 2,2-dideuterio-N-methyl-2-(1-methyl-6-nitro-2-oxoquinolin-3-yl)oxyacetamide is sourced from PubChem (CID 155142425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).