ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one

C20H24N2O3 — CID 163261620

IUPACethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCC.O=C1CN(C(=O)CCOCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H18N2O3.C2H6/c21-17-12-20(16-9-5-4-8-15(16)19-17)18(22)10-11-23-13-14-6-2-1-3-7-14;1-2/h1-9H,10-13H2,(H,19,21);1-2H3
InChIKeyGPRPCOUTXHABCZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.60
Rot. Bonds5

About ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one

ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 163261620) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Nameethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID163261620
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCC.O=C1CN(C(=O)CCOCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H18N2O3.C2H6/c21-17-12-20(16-9-5-4-8-15(16)19-17)18(22)10-11-23-13-14-6-2-1-3-7-14;1-2/h1-9H,10-13H2,(H,19,21);1-2H3
InChIKeyGPRPCOUTXHABCZ-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one (CID 163261620) is ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one is CC.O=C1CN(C(=O)CCOCc2ccccc2)c2ccccc2N1.
What is the InChIKey of ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is GPRPCOUTXHABCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3.C2H6/c21-17-12-20(16-9-5-4-8-15(16)19-17)18(22)10-11-23-13-14-6-2-1-3-7-14;1-2/h1-9H,10-13H2,(H,19,21);1-2H3.
What are the key properties of ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one?
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 340.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 163261620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).