2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid

C13H15NO4 — CID 10467232

IUPAC2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCC(C)n1c2c(cc(C(=O)O)c1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO4/c1-7(2)14-10-4-3-5-11(15)8(10)6-9(12(14)16)13(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyUKILQDGOTGDEKW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.65
Rot. Bonds2

About 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid

2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid (PubChem CID 10467232) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid
PubChem CID10467232
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCC(C)n1c2c(cc(C(=O)O)c1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO4/c1-7(2)14-10-4-3-5-11(15)8(10)6-9(12(14)16)13(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyUKILQDGOTGDEKW-UHFFFAOYSA-N
XLogP1.65
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 13535385
methyl 1-butyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 44825792
ethyl 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 19985997
1-Butyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 22266516
5-Acetyl-6-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carboxylic acid
CID 30033257
5-Acetyl-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 30033260
5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 30033263
1-Methyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 37134576
2-oxo-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 68204520
ethyl 1-(methoxymethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylate
CID 140358557
1-Methyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 30033736
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid
CID 81107720

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The IUPAC name of 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid (CID 10467232) is 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The canonical SMILES for 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid is CC(C)n1c2c(cc(C(=O)O)c1=O)C(=O)CCC2.
What is the InChIKey of 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The InChIKey is UKILQDGOTGDEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7(2)14-10-4-3-5-11(15)8(10)6-9(12(14)16)13(17)18/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-1-propan-2-yl-7,8-dihydro-6H-quinoline-3-carboxylic acid is sourced from PubChem (CID 10467232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).