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

C12H15NO3 — CID 19986009

IUPAC1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCOCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H15NO3/c1-16-8-7-13-10-3-2-4-11(14)9(10)5-6-12(13)15/h5-6H,2-4,7-8H2,1H3
InChIKeyHAWVURUFFCZKQZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds3

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

1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 19986009) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID19986009
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCOCCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H15NO3/c1-16-8-7-13-10-3-2-4-11(14)9(10)5-6-12(13)15/h5-6H,2-4,7-8H2,1H3
InChIKeyHAWVURUFFCZKQZ-UHFFFAOYSA-N
XLogP1.01
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 19986009) is 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is COCCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is HAWVURUFFCZKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-8-7-13-10-3-2-4-11(14)9(10)5-6-12(13)15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 221.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 19986009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).