1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione

C13H17NO3 — CID 81109273

IUPAC1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCOCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H17NO3/c1-2-17-9-8-14-11-4-3-5-12(15)10(11)6-7-13(14)16/h6-7H,2-5,8-9H2,1H3
InChIKeyDBRWUSYBHPIDBZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109273) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109273
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCOCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H17NO3/c1-2-17-9-8-14-11-4-3-5-12(15)10(11)6-7-13(14)16/h6-7H,2-5,8-9H2,1H3
InChIKeyDBRWUSYBHPIDBZ-UHFFFAOYSA-N
XLogP1.40
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109273) is 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is CCOCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is DBRWUSYBHPIDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-9-8-14-11-4-3-5-12(15)10(11)6-7-13(14)16/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 235.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).