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

C11H13NO3 — CID 19986011

IUPAC1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCO
InChIInChI=1S/C11H13NO3/c13-7-6-12-9-2-1-3-10(14)8(9)4-5-11(12)15/h4-5,13H,1-3,6-7H2
InChIKeyIJJWRSYZGJORTE-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.36
Rot. Bonds2

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

1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 19986011) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID19986011
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCO
InChIInChI=1S/C11H13NO3/c13-7-6-12-9-2-1-3-10(14)8(9)4-5-11(12)15/h4-5,13H,1-3,6-7H2
InChIKeyIJJWRSYZGJORTE-UHFFFAOYSA-N
XLogP0.36
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 19986011) is 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is IJJWRSYZGJORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-6-12-9-2-1-3-10(14)8(9)4-5-11(12)15/h4-5,13H,1-3,6-7H2.
What are the key properties of 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 19986011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).