6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one

C16H14N2O — CID 10658327

IUPAC6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one
SMILESCc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C16H14N2O/c1-10-8-13-14(9-11(10)2)18-16(19)15(17-13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)
InChIKeyXRVXNBDWRLIDRK-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.21
Rot. Bonds1

About 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one

6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one (PubChem CID 10658327) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one
PubChem CID10658327
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one
SMILESCc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C16H14N2O/c1-10-8-13-14(9-11(10)2)18-16(19)15(17-13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)
InChIKeyXRVXNBDWRLIDRK-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one (CID 10658327) is 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one is Cc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1C.
What is the InChIKey of 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one?
The InChIKey is XRVXNBDWRLIDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-8-13-14(9-11(10)2)18-16(19)15(17-13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one?
6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-phenyl-1H-quinoxalin-2-one is sourced from PubChem (CID 10658327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).