3-butyl-3H-quinoxalin-2-one

C12H14N2O — CID 67785876

IUPAC3-butyl-3H-quinoxalin-2-one
SMILESCCCCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C12H14N2O/c1-2-3-6-11-12(15)14-10-8-5-4-7-9(10)13-11/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyIPXKVQHQUAQAKU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.02
Rot. Bonds3

About 3-butyl-3H-quinoxalin-2-one

3-butyl-3H-quinoxalin-2-one (PubChem CID 67785876) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-butyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-butyl-3H-quinoxalin-2-one
PubChem CID67785876
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-butyl-3H-quinoxalin-2-one
SMILESCCCCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C12H14N2O/c1-2-3-6-11-12(15)14-10-8-5-4-7-9(10)13-11/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyIPXKVQHQUAQAKU-UHFFFAOYSA-N
XLogP1.02
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3H-quinoxalin-2-one?
The IUPAC name of 3-butyl-3H-quinoxalin-2-one (CID 67785876) is 3-butyl-3H-quinoxalin-2-one.
What is the SMILES notation for 3-butyl-3H-quinoxalin-2-one?
The canonical SMILES for 3-butyl-3H-quinoxalin-2-one is CCCCC1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-butyl-3H-quinoxalin-2-one?
The InChIKey is IPXKVQHQUAQAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-6-11-12(15)14-10-8-5-4-7-9(10)13-11/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of 3-butyl-3H-quinoxalin-2-one?
3-butyl-3H-quinoxalin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3H-quinoxalin-2-one is sourced from PubChem (CID 67785876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).