4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid

C16H18N2O5 — CID 119216911

IUPAC4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H18N2O5/c19-14-6-5-11-3-1-2-4-12(11)18(14)9-15(20)17-7-8-23-10-13(17)16(21)22/h1-4,13H,5-10H2,(H,21,22)
InChIKeyFUPZCUXOXMKJOX-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.28
Rot. Bonds3

About 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 119216911) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID119216911
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H18N2O5/c19-14-6-5-11-3-1-2-4-12(11)18(14)9-15(20)17-7-8-23-10-13(17)16(21)22/h1-4,13H,5-10H2,(H,21,22)
InChIKeyFUPZCUXOXMKJOX-UHFFFAOYSA-N
XLogP0.28
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid (CID 119216911) is 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is FUPZCUXOXMKJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-14-6-5-11-3-1-2-4-12(11)18(14)9-15(20)17-7-8-23-10-13(17)16(21)22/h1-4,13H,5-10H2,(H,21,22).
What are the key properties of 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).