1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione

C13H17NO4 — CID 81108927

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCOCCO
InChIInChI=1S/C13H17NO4/c15-7-9-18-8-6-14-11-2-1-3-12(16)10(11)4-5-13(14)17/h4-5,15H,1-3,6-9H2
InChIKeyODIFLCBVMBXXIA-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.38
Rot. Bonds5

About 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108927) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108927
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCOCCO
InChIInChI=1S/C13H17NO4/c15-7-9-18-8-6-14-11-2-1-3-12(16)10(11)4-5-13(14)17/h4-5,15H,1-3,6-9H2
InChIKeyODIFLCBVMBXXIA-UHFFFAOYSA-N
XLogP0.38
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108927) is 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is ODIFLCBVMBXXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-7-9-18-8-6-14-11-2-1-3-12(16)10(11)4-5-13(14)17/h4-5,15H,1-3,6-9H2.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 251.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).