butane;7-methoxy-1H-quinoxalin-2-one

C13H18N2O2 — CID 143376014

IUPACbutane;7-methoxy-1H-quinoxalin-2-one
SMILESCCCC.COc1ccc2ncc(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O2.C4H10/c1-13-6-2-3-7-8(4-6)11-9(12)5-10-7;1-3-4-2/h2-5H,1H3,(H,11,12);3-4H2,1-2H3
InChIKeyXECKNAIYEQBIOW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.74
Rot. Bonds2

About butane;7-methoxy-1H-quinoxalin-2-one

butane;7-methoxy-1H-quinoxalin-2-one (PubChem CID 143376014) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is butane;7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Namebutane;7-methoxy-1H-quinoxalin-2-one
PubChem CID143376014
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namebutane;7-methoxy-1H-quinoxalin-2-one
SMILESCCCC.COc1ccc2ncc(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O2.C4H10/c1-13-6-2-3-7-8(4-6)11-9(12)5-10-7;1-3-4-2/h2-5H,1H3,(H,11,12);3-4H2,1-2H3
InChIKeyXECKNAIYEQBIOW-UHFFFAOYSA-N
XLogP2.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane;7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of butane;7-methoxy-1H-quinoxalin-2-one (CID 143376014) is butane;7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for butane;7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for butane;7-methoxy-1H-quinoxalin-2-one is CCCC.COc1ccc2ncc(=O)[nH]c2c1.
What is the InChIKey of butane;7-methoxy-1H-quinoxalin-2-one?
The InChIKey is XECKNAIYEQBIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C4H10/c1-13-6-2-3-7-8(4-6)11-9(12)5-10-7;1-3-4-2/h2-5H,1H3,(H,11,12);3-4H2,1-2H3.
What are the key properties of butane;7-methoxy-1H-quinoxalin-2-one?
butane;7-methoxy-1H-quinoxalin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 143376014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).