2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid

C11H11NO4 — CID 84686452

IUPAC2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCOc1nc2c(cc1C(=O)O)C(=O)CCC2
InChIInChI=1S/C11H11NO4/c1-16-10-7(11(14)15)5-6-8(12-10)3-2-4-9(6)13/h5H,2-4H2,1H3,(H,14,15)
InChIKeyLIIKYMIGYAMBJI-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.31
Rot. Bonds2

About 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid

2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid (PubChem CID 84686452) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
PubChem CID84686452
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCOc1nc2c(cc1C(=O)O)C(=O)CCC2
InChIInChI=1S/C11H11NO4/c1-16-10-7(11(14)15)5-6-8(12-10)3-2-4-9(6)13/h5H,2-4H2,1H3,(H,14,15)
InChIKeyLIIKYMIGYAMBJI-UHFFFAOYSA-N
XLogP1.31
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid (CID 84686452) is 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid is COc1nc2c(cc1C(=O)O)C(=O)CCC2.
What is the InChIKey of 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The InChIKey is LIIKYMIGYAMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-16-10-7(11(14)15)5-6-8(12-10)3-2-4-9(6)13/h5H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid?
2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84686452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).