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

C18H18N2O2 — CID 41453577

IUPAC4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-13-6-8-14(9-7-13)10-11-18(22)20-12-17(21)19-15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyRLHKHIJDUXRBRL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.91
Rot. Bonds3

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

4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 41453577) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID41453577
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-13-6-8-14(9-7-13)10-11-18(22)20-12-17(21)19-15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyRLHKHIJDUXRBRL-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35623009

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 41453577) is 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is RLHKHIJDUXRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-6-8-14(9-7-13)10-11-18(22)20-12-17(21)19-15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 41453577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).