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

C18H18N2O3 — CID 6499037

IUPAC4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(OC(C)C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-12-7-9-14(10-8-12)23-13(2)18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21)
InChIKeyMMPOZLZWSQRSQP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds3

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

4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 6499037) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID6499037
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(OC(C)C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-12-7-9-14(10-8-12)23-13(2)18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21)
InChIKeyMMPOZLZWSQRSQP-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
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CID 724133
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 863795
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CID 1455749
N-(2-fluorophenyl)-2-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 1455757
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 6499037) is 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(OC(C)C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is MMPOZLZWSQRSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-9-14(10-8-12)23-13(2)18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21).
What are the key properties of 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 6499037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).