6-methoxy-1-methyl-8-nitroquinolin-2-one

C11H10N2O4 — CID 576199

IUPAC6-methoxy-1-methyl-8-nitroquinolin-2-one
SMILESCOc1cc([N+](=O)[O-])c2c(ccc(=O)n2C)c1
InChIInChI=1S/C11H10N2O4/c1-12-10(14)4-3-7-5-8(17-2)6-9(11(7)12)13(15)16/h3-6H,1-2H3
InChIKeyZCLCULMHJSBKEO-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.46
Rot. Bonds2

About 6-methoxy-1-methyl-8-nitroquinolin-2-one

6-methoxy-1-methyl-8-nitroquinolin-2-one (PubChem CID 576199) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6-methoxy-1-methyl-8-nitroquinolin-2-one.

Molecular Properties

Compound Name6-methoxy-1-methyl-8-nitroquinolin-2-one
PubChem CID576199
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name6-methoxy-1-methyl-8-nitroquinolin-2-one
SMILESCOc1cc([N+](=O)[O-])c2c(ccc(=O)n2C)c1
InChIInChI=1S/C11H10N2O4/c1-12-10(14)4-3-7-5-8(17-2)6-9(11(7)12)13(15)16/h3-6H,1-2H3
InChIKeyZCLCULMHJSBKEO-UHFFFAOYSA-N
XLogP1.46
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-methyl-8-nitroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-8-nitroquinolin-2-one?
The IUPAC name of 6-methoxy-1-methyl-8-nitroquinolin-2-one (CID 576199) is 6-methoxy-1-methyl-8-nitroquinolin-2-one.
What is the SMILES notation for 6-methoxy-1-methyl-8-nitroquinolin-2-one?
The canonical SMILES for 6-methoxy-1-methyl-8-nitroquinolin-2-one is COc1cc([N+](=O)[O-])c2c(ccc(=O)n2C)c1.
What is the InChIKey of 6-methoxy-1-methyl-8-nitroquinolin-2-one?
The InChIKey is ZCLCULMHJSBKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-12-10(14)4-3-7-5-8(17-2)6-9(11(7)12)13(15)16/h3-6H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-8-nitroquinolin-2-one?
6-methoxy-1-methyl-8-nitroquinolin-2-one has a molecular weight of 234.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-8-nitroquinolin-2-one is sourced from PubChem (CID 576199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).