3,6,7-trimethyl-4aH-quinoxalin-2-one

C11H12N2O — CID 138059173

IUPAC3,6,7-trimethyl-4aH-quinoxalin-2-one
SMILESCC1=CC2=NC(=O)C(C)=NC2C=C1C
InChIInChI=1S/C11H12N2O/c1-6-4-9-10(5-7(6)2)13-11(14)8(3)12-9/h4-5,9H,1-3H3
InChIKeyVYCMFMJIAZSKPK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.70
Rot. Bonds

About 3,6,7-trimethyl-4aH-quinoxalin-2-one

3,6,7-trimethyl-4aH-quinoxalin-2-one (PubChem CID 138059173) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,6,7-trimethyl-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name3,6,7-trimethyl-4aH-quinoxalin-2-one
PubChem CID138059173
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3,6,7-trimethyl-4aH-quinoxalin-2-one
SMILESCC1=CC2=NC(=O)C(C)=NC2C=C1C
InChIInChI=1S/C11H12N2O/c1-6-4-9-10(5-7(6)2)13-11(14)8(3)12-9/h4-5,9H,1-3H3
InChIKeyVYCMFMJIAZSKPK-UHFFFAOYSA-N
XLogP1.70
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylpyridazine-3,6-dione
CID 45049309
2,3-dimethyl-8aH-pyrido[2,3-b]pyrazin-6-one
CID 75089622
2,4-dimethylpyrrol-3-one
CID 140979367
2,6,8-trimethyl-4aH-quinolin-4-one
CID 178203272
(2R)-4,5-dimethyl-2H-pyrrole-2-carboxylic acid
CID 126422125
2-(chloromethyl)-6,8-dimethyl-4aH-quinolin-4-one
CID 138058764
2,3,5,6-tetramethyl-2,3-dihydropyridine
CID 123760837
dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane
CID 139699551
(3aS,3bR,6aS,7aR)-2,5-dimethyl-3b,6a,7,7a-tetrahydro-3aH-cyclopenta[a]pentalene-3,4-dione
CID 12920457
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
(1R,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 124710424
(3aR,3bR,6aS,7aS)-2,5,7,7-tetramethyl-3a,3b,6a,7a-tetrahydrocyclopenta[a]pentalene-3,4-dione
CID 155929549

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-4aH-quinoxalin-2-one?
The IUPAC name of 3,6,7-trimethyl-4aH-quinoxalin-2-one (CID 138059173) is 3,6,7-trimethyl-4aH-quinoxalin-2-one.
What is the SMILES notation for 3,6,7-trimethyl-4aH-quinoxalin-2-one?
The canonical SMILES for 3,6,7-trimethyl-4aH-quinoxalin-2-one is CC1=CC2=NC(=O)C(C)=NC2C=C1C.
What is the InChIKey of 3,6,7-trimethyl-4aH-quinoxalin-2-one?
The InChIKey is VYCMFMJIAZSKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-4-9-10(5-7(6)2)13-11(14)8(3)12-9/h4-5,9H,1-3H3.
What are the key properties of 3,6,7-trimethyl-4aH-quinoxalin-2-one?
3,6,7-trimethyl-4aH-quinoxalin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-4aH-quinoxalin-2-one is sourced from PubChem (CID 138059173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).