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

C18H18N2O3 — CID 4781578

IUPAC4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cccc(OCCC(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H18N2O3/c1-13-5-4-6-14(11-13)23-10-9-18(22)20-12-17(21)19-15-7-2-3-8-16(15)20/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyNXSNJDBEMXZVBA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds4

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

4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 4781578) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID4781578
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cccc(OCCC(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H18N2O3/c1-13-5-4-6-14(11-13)23-10-9-18(22)20-12-17(21)19-15-7-2-3-8-16(15)20/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyNXSNJDBEMXZVBA-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 4781578) is 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1cccc(OCCC(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is NXSNJDBEMXZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-5-4-6-14(11-13)23-10-9-18(22)20-12-17(21)19-15-7-2-3-8-16(15)20/h2-8,11H,9-10,12H2,1H3,(H,19,21).
What are the key properties of 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4781578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).