3-(3-methoxypropylamino)-1H-quinoxalin-2-one

C12H15N3O2 — CID 2408944

IUPAC3-(3-methoxypropylamino)-1H-quinoxalin-2-one
SMILESCOCCCNc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H15N3O2/c1-17-8-4-7-13-11-12(16)15-10-6-3-2-5-9(10)14-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyURKIWZIOHIFCGF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.37
Rot. Bonds5

About 3-(3-methoxypropylamino)-1H-quinoxalin-2-one

3-(3-methoxypropylamino)-1H-quinoxalin-2-one (PubChem CID 2408944) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-1H-quinoxalin-2-one
PubChem CID2408944
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(3-methoxypropylamino)-1H-quinoxalin-2-one
SMILESCOCCCNc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H15N3O2/c1-17-8-4-7-13-11-12(16)15-10-6-3-2-5-9(10)14-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyURKIWZIOHIFCGF-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3-methoxypropylamino)-1H-quinoxalin-2-one (CID 2408944) is 3-(3-methoxypropylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3-methoxypropylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3-methoxypropylamino)-1H-quinoxalin-2-one is COCCCNc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(3-methoxypropylamino)-1H-quinoxalin-2-one?
The InChIKey is URKIWZIOHIFCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-8-4-7-13-11-12(16)15-10-6-3-2-5-9(10)14-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(3-methoxypropylamino)-1H-quinoxalin-2-one?
3-(3-methoxypropylamino)-1H-quinoxalin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 2408944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).