1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione

C12H15NO3 — CID 15924253

IUPAC1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1cc2c(n(CCO)c1=O)CCCC2=O
InChIInChI=1S/C12H15NO3/c1-8-7-9-10(3-2-4-11(9)15)13(5-6-14)12(8)16/h7,14H,2-6H2,1H3
InChIKeyFIVRGKCJOOXSKZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.67
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione

1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 15924253) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID15924253
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1cc2c(n(CCO)c1=O)CCCC2=O
InChIInChI=1S/C12H15NO3/c1-8-7-9-10(3-2-4-11(9)15)13(5-6-14)12(8)16/h7,14H,2-6H2,1H3
InChIKeyFIVRGKCJOOXSKZ-UHFFFAOYSA-N
XLogP0.67
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione (CID 15924253) is 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione is Cc1cc2c(n(CCO)c1=O)CCCC2=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is FIVRGKCJOOXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-7-9-10(3-2-4-11(9)15)13(5-6-14)12(8)16/h7,14H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 221.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 15924253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).