7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid

C14H14N2O4 — CID 67759753

IUPAC7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid
SMILESO=C(O)C1C=Nc2cc(N3CCOCC3)ccc2C1=O
InChIInChI=1S/C14H14N2O4/c17-13-10-2-1-9(16-3-5-20-6-4-16)7-12(10)15-8-11(13)14(18)19/h1-2,7-8,11H,3-6H2,(H,18,19)
InChIKeyVGCDBVUNQNEGMQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.12
Rot. Bonds2

About 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid

7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid (PubChem CID 67759753) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid
PubChem CID67759753
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid
SMILESO=C(O)C1C=Nc2cc(N3CCOCC3)ccc2C1=O
InChIInChI=1S/C14H14N2O4/c17-13-10-2-1-9(16-3-5-20-6-4-16)7-12(10)15-8-11(13)14(18)19/h1-2,7-8,11H,3-6H2,(H,18,19)
InChIKeyVGCDBVUNQNEGMQ-UHFFFAOYSA-N
XLogP1.12
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid?
The IUPAC name of 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid (CID 67759753) is 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid is O=C(O)C1C=Nc2cc(N3CCOCC3)ccc2C1=O.
What is the InChIKey of 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid?
The InChIKey is VGCDBVUNQNEGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13-10-2-1-9(16-3-5-20-6-4-16)7-12(10)15-8-11(13)14(18)19/h1-2,7-8,11H,3-6H2,(H,18,19).
What are the key properties of 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid?
7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid is sourced from PubChem (CID 67759753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).