4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one

C12H14N2O2 — CID 763771

IUPAC4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C12H14N2O2/c1-8(15)14-10-7-5-4-6-9(10)13-11(16)12(14,2)3/h4-7H,1-3H3,(H,13,16)
InChIKeyYTNAYHRQNUMLRX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.77
Rot. Bonds

About 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one

4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 763771) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID763771
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C12H14N2O2/c1-8(15)14-10-7-5-4-6-9(10)13-11(16)12(14,2)3/h4-7H,1-3H3,(H,13,16)
InChIKeyYTNAYHRQNUMLRX-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one (CID 763771) is 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one is CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is YTNAYHRQNUMLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)14-10-7-5-4-6-9(10)13-11(16)12(14,2)3/h4-7H,1-3H3,(H,13,16).
What are the key properties of 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one?
4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 763771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).