3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one

C13H14N2O6 — CID 23300226

IUPAC3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one
SMILESCOCOc1c(OC)c(=O)n(C)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H14N2O6/c1-14-10-6-8(15(17)18)4-5-9(10)11(21-7-19-2)12(20-3)13(14)16/h4-6H,7H2,1-3H3
InChIKeyMFOCPOJZDHZRHH-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.44
Rot. Bonds5

About 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one

3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one (PubChem CID 23300226) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one.

Molecular Properties

Compound Name3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one
PubChem CID23300226
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one
SMILESCOCOc1c(OC)c(=O)n(C)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H14N2O6/c1-14-10-6-8(15(17)18)4-5-9(10)11(21-7-19-2)12(20-3)13(14)16/h4-6H,7H2,1-3H3
InChIKeyMFOCPOJZDHZRHH-UHFFFAOYSA-N
XLogP1.44
TPSA92.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one?
The IUPAC name of 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one (CID 23300226) is 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one.
What is the SMILES notation for 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one?
The canonical SMILES for 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one is COCOc1c(OC)c(=O)n(C)c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one?
The InChIKey is MFOCPOJZDHZRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c1-14-10-6-8(15(17)18)4-5-9(10)11(21-7-19-2)12(20-3)13(14)16/h4-6H,7H2,1-3H3.
What are the key properties of 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one?
3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one has a molecular weight of 294.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one is sourced from PubChem (CID 23300226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).