5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one

C11H15N3O — CID 68708180

IUPAC5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one
SMILESCN1c2c(N)cccc2NC(=O)C1(C)C
InChIInChI=1S/C11H15N3O/c1-11(2)10(15)13-8-6-4-5-7(12)9(8)14(11)3/h4-6H,12H2,1-3H3,(H,13,15)
InChIKeyMINRIUVKYHGCLT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds

About 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one

5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one (PubChem CID 68708180) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one
PubChem CID68708180
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one
SMILESCN1c2c(N)cccc2NC(=O)C1(C)C
InChIInChI=1S/C11H15N3O/c1-11(2)10(15)13-8-6-4-5-7(12)9(8)14(11)3/h4-6H,12H2,1-3H3,(H,13,15)
InChIKeyMINRIUVKYHGCLT-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one?
The IUPAC name of 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one (CID 68708180) is 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one is CN1c2c(N)cccc2NC(=O)C1(C)C.
What is the InChIKey of 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one?
The InChIKey is MINRIUVKYHGCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2)10(15)13-8-6-4-5-7(12)9(8)14(11)3/h4-6H,12H2,1-3H3,(H,13,15).
What are the key properties of 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one?
5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 68708180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).