4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

C17H16N2O2 — CID 16864023

IUPAC4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)10-17(21)19-11-16(20)18-14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMNBDOHKUXJTGOH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.52
Rot. Bonds2

About 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 16864023) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID16864023
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)10-17(21)19-11-16(20)18-14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyMNBDOHKUXJTGOH-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 8834200
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 16864023) is 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is MNBDOHKUXJTGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)10-17(21)19-11-16(20)18-14-4-2-3-5-15(14)19/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16864023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).