2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide

C14H15N3O5 — CID 133055959

IUPAC2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide
SMILESCCn1c(=O)c(OCC(=O)NC)cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H15N3O5/c1-3-16-11-5-4-10(17(20)21)6-9(11)7-12(14(16)19)22-8-13(18)15-2/h4-7H,3,8H2,1-2H3,(H,15,18)
InChIKeyLFXRWMYSIINRGF-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.05
Rot. Bonds5

About 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide

2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide (PubChem CID 133055959) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide
PubChem CID133055959
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide
SMILESCCn1c(=O)c(OCC(=O)NC)cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H15N3O5/c1-3-16-11-5-4-10(17(20)21)6-9(11)7-12(14(16)19)22-8-13(18)15-2/h4-7H,3,8H2,1-2H3,(H,15,18)
InChIKeyLFXRWMYSIINRGF-UHFFFAOYSA-N
XLogP1.05
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.05
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 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide (CID 133055959) is 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide is CCn1c(=O)c(OCC(=O)NC)cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
The InChIKey is LFXRWMYSIINRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-3-16-11-5-4-10(17(20)21)6-9(11)7-12(14(16)19)22-8-13(18)15-2/h4-7H,3,8H2,1-2H3,(H,15,18).
What are the key properties of 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide?
2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide has a molecular weight of 305.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-nitro-2-oxoquinolin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 133055959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).