1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione

C11H13NO2 — CID 19986014

IUPAC1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC1CC(=O)c2ccc(=O)n(C)c2C1
InChIInChI=1S/C11H13NO2/c1-7-5-9-8(10(13)6-7)3-4-11(14)12(9)2/h3-4,7H,5-6H2,1-2H3
InChIKeySJYCEZYTHXWFQD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.15
Rot. Bonds

About 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione

1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 19986014) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID19986014
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC1CC(=O)c2ccc(=O)n(C)c2C1
InChIInChI=1S/C11H13NO2/c1-7-5-9-8(10(13)6-7)3-4-11(14)12(9)2/h3-4,7H,5-6H2,1-2H3
InChIKeySJYCEZYTHXWFQD-UHFFFAOYSA-N
XLogP1.15
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione (CID 19986014) is 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione is CC1CC(=O)c2ccc(=O)n(C)c2C1.
What is the InChIKey of 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is SJYCEZYTHXWFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-9-8(10(13)6-7)3-4-11(14)12(9)2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione?
1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 191.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 19986014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).