3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

C10H12N2O — CID 11571880

IUPAC3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1ccc2c(c1)NC(C)C(=O)N2
InChIInChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)11-7(2)10(13)12-8/h3-5,7,11H,1-2H3,(H,12,13)
InChIKeyWNRMUMDXZAMAGV-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.75
Rot. Bonds

About 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one

3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 11571880) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID11571880
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1ccc2c(c1)NC(C)C(=O)N2
InChIInChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)11-7(2)10(13)12-8/h3-5,7,11H,1-2H3,(H,12,13)
InChIKeyWNRMUMDXZAMAGV-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one (CID 11571880) is 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one is Cc1ccc2c(c1)NC(C)C(=O)N2.
What is the InChIKey of 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is WNRMUMDXZAMAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)11-7(2)10(13)12-8/h3-5,7,11H,1-2H3,(H,12,13).
What are the key properties of 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one?
3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 11571880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).