2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline

C16H13N3O3 — CID 952350

IUPAC2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline
SMILESCc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O3/c1-11-16(18-15-8-3-2-7-14(15)17-11)22-10-12-5-4-6-13(9-12)19(20)21/h2-9H,10H2,1H3
InChIKeyOFJZNDUXCSWQME-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline

2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline (PubChem CID 952350) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline
PubChem CID952350
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline
SMILESCc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O3/c1-11-16(18-15-8-3-2-7-14(15)17-11)22-10-12-5-4-6-13(9-12)19(20)21/h2-9H,10H2,1H3
InChIKeyOFJZNDUXCSWQME-UHFFFAOYSA-N
XLogP3.43
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline?
The IUPAC name of 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline (CID 952350) is 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline.
What is the SMILES notation for 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline?
The canonical SMILES for 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline is Cc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline?
The InChIKey is OFJZNDUXCSWQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-11-16(18-15-8-3-2-7-14(15)17-11)22-10-12-5-4-6-13(9-12)19(20)21/h2-9H,10H2,1H3.
What are the key properties of 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline?
2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline has a molecular weight of 295.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-nitrophenyl)methoxy]quinoxaline is sourced from PubChem (CID 952350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).