6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid

C12H11NO3 — CID 720014

IUPAC6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc(C)c2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C12H11NO3/c1-6-3-7(2)10-8(4-6)11(14)9(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyIZUOQXWRSVPGRM-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.84
Rot. Bonds1

About 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid

6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 720014) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID720014
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc(C)c2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C12H11NO3/c1-6-3-7(2)10-8(4-6)11(14)9(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyIZUOQXWRSVPGRM-UHFFFAOYSA-N
XLogP1.84
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 720014) is 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1cc(C)c2[nH]cc(C(=O)O)c(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is IZUOQXWRSVPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-6-3-7(2)10-8(4-6)11(14)9(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 720014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).