6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

C12H16N2O3 — CID 82157443

IUPAC6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCOc1cc2c(cc1OC)N(C)C(=O)C(C)N2
InChIInChI=1S/C12H16N2O3/c1-7-12(15)14(2)9-6-11(17-4)10(16-3)5-8(9)13-7/h5-7,13H,1-4H3
InChIKeyPHUFJMHWJPTUHC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.48
Rot. Bonds2

About 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157443) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157443
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCOc1cc2c(cc1OC)N(C)C(=O)C(C)N2
InChIInChI=1S/C12H16N2O3/c1-7-12(15)14(2)9-6-11(17-4)10(16-3)5-8(9)13-7/h5-7,13H,1-4H3
InChIKeyPHUFJMHWJPTUHC-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (CID 82157443) is 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is COc1cc2c(cc1OC)N(C)C(=O)C(C)N2.
What is the InChIKey of 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is PHUFJMHWJPTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-12(15)14(2)9-6-11(17-4)10(16-3)5-8(9)13-7/h5-7,13H,1-4H3.
What are the key properties of 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).