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

C11H11NO4 — CID 30033736

IUPAC1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)C(=O)CCC2
InChIInChI=1S/C11H11NO4/c1-12-8-3-2-4-9(13)6(8)5-7(10(12)14)11(15)16/h5H,2-4H2,1H3,(H,15,16)
InChIKeyOWQUHKSAPOKWHQ-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.60
Rot. Bonds1

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

1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid (PubChem CID 30033736) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
PubChem CID30033736
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCn1c2c(cc(C(=O)O)c1=O)C(=O)CCC2
InChIInChI=1S/C11H11NO4/c1-12-8-3-2-4-9(13)6(8)5-7(10(12)14)11(15)16/h5H,2-4H2,1H3,(H,15,16)
InChIKeyOWQUHKSAPOKWHQ-UHFFFAOYSA-N
XLogP0.60
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid (CID 30033736) is 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid is Cn1c2c(cc(C(=O)O)c1=O)C(=O)CCC2.
What is the InChIKey of 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The InChIKey is OWQUHKSAPOKWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-12-8-3-2-4-9(13)6(8)5-7(10(12)14)11(15)16/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxylic acid is sourced from PubChem (CID 30033736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).