3-prop-2-ynoxyquinoxalin-2-amine

C11H9N3O — CID 102987605

IUPAC3-prop-2-ynoxyquinoxalin-2-amine
SMILESC#CCOc1nc2ccccc2nc1N
InChIInChI=1S/C11H9N3O/c1-2-7-15-11-10(12)13-8-5-3-4-6-9(8)14-11/h1,3-6H,7H2,(H2,12,13)
InChIKeyZCGDYSHXGMHEBS-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.22
Rot. Bonds2

About 3-prop-2-ynoxyquinoxalin-2-amine

3-prop-2-ynoxyquinoxalin-2-amine (PubChem CID 102987605) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-prop-2-ynoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3-prop-2-ynoxyquinoxalin-2-amine
PubChem CID102987605
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-prop-2-ynoxyquinoxalin-2-amine
SMILESC#CCOc1nc2ccccc2nc1N
InChIInChI=1S/C11H9N3O/c1-2-7-15-11-10(12)13-8-5-3-4-6-9(8)14-11/h1,3-6H,7H2,(H2,12,13)
InChIKeyZCGDYSHXGMHEBS-UHFFFAOYSA-N
XLogP1.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxyquinoxalin-2-amine?
The IUPAC name of 3-prop-2-ynoxyquinoxalin-2-amine (CID 102987605) is 3-prop-2-ynoxyquinoxalin-2-amine.
What is the SMILES notation for 3-prop-2-ynoxyquinoxalin-2-amine?
The canonical SMILES for 3-prop-2-ynoxyquinoxalin-2-amine is C#CCOc1nc2ccccc2nc1N.
What is the InChIKey of 3-prop-2-ynoxyquinoxalin-2-amine?
The InChIKey is ZCGDYSHXGMHEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-2-7-15-11-10(12)13-8-5-3-4-6-9(8)14-11/h1,3-6H,7H2,(H2,12,13).
What are the key properties of 3-prop-2-ynoxyquinoxalin-2-amine?
3-prop-2-ynoxyquinoxalin-2-amine has a molecular weight of 199.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxyquinoxalin-2-amine is sourced from PubChem (CID 102987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).