5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid

C12H11NO3 — CID 2728219

IUPAC5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccc(C)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C12H11NO3/c1-6-3-4-7(2)10-9(6)11(14)8(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyDJOCEZXDNSFDGF-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.84
Rot. Bonds1

About 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid

5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 2728219) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID2728219
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccc(C)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C12H11NO3/c1-6-3-4-7(2)10-9(6)11(14)8(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyDJOCEZXDNSFDGF-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 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 2728219) is 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1ccc(C)c2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is DJOCEZXDNSFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-6-3-4-7(2)10-9(6)11(14)8(5-13-10)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid?
5,8-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 5,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 2728219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).