3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one

C17H16N2O2 — CID 3851546

IUPAC3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2c3ccccc3NC(=O)C2C)cc1
InChIInChI=1S/C17H16N2O2/c1-11-7-9-13(10-8-11)17(21)19-12(2)16(20)18-14-5-3-4-6-15(14)19/h3-10,12H,1-2H3,(H,18,20)
InChIKeyNFWFOKCURRXSHK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.98
Rot. Bonds1

About 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one

3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 3851546) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID3851546
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2c3ccccc3NC(=O)C2C)cc1
InChIInChI=1S/C17H16N2O2/c1-11-7-9-13(10-8-11)17(21)19-12(2)16(20)18-14-5-3-4-6-15(14)19/h3-10,12H,1-2H3,(H,18,20)
InChIKeyNFWFOKCURRXSHK-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 3851546) is 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(=O)N2c3ccccc3NC(=O)C2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is NFWFOKCURRXSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-9-13(10-8-11)17(21)19-12(2)16(20)18-14-5-3-4-6-15(14)19/h3-10,12H,1-2H3,(H,18,20).
What are the key properties of 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3851546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).