4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one

C17H16N2O2 — CID 2123742

IUPAC4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)cc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyHZVVNFUIEIANJX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.90
Rot. Bonds1

About 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2123742) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2123742
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)cc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyHZVVNFUIEIANJX-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 2123742) is 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one is Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is HZVVNFUIEIANJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2123742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).