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

C11H13NO3 — CID 19986008

IUPAC1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCOCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C11H13NO3/c1-15-7-12-9-3-2-4-10(13)8(9)5-6-11(12)14/h5-6H,2-4,7H2,1H3
InChIKeyQHMXPBNAYKTWEK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.97
Rot. Bonds2

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

1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 19986008) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID19986008
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCOCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C11H13NO3/c1-15-7-12-9-3-2-4-10(13)8(9)5-6-11(12)14/h5-6H,2-4,7H2,1H3
InChIKeyQHMXPBNAYKTWEK-UHFFFAOYSA-N
XLogP0.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 19986008) is 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione is COCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is QHMXPBNAYKTWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-7-12-9-3-2-4-10(13)8(9)5-6-11(12)14/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 19986008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).