4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid

C18H22N2O6 — CID 154740273

IUPAC4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid
SMILESO=C1CCc2cc(OCCCC(=O)N3CCOCC3C(=O)O)ccc2N1
InChIInChI=1S/C18H22N2O6/c21-16-6-3-12-10-13(4-5-14(12)19-16)26-8-1-2-17(22)20-7-9-25-11-15(20)18(23)24/h4-5,10,15H,1-3,6-9,11H2,(H,19,21)(H,23,24)
InChIKeyKAJGDVWRAIQHHI-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.04
Rot. Bonds6

About 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid

4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid (PubChem CID 154740273) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid
PubChem CID154740273
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid
SMILESO=C1CCc2cc(OCCCC(=O)N3CCOCC3C(=O)O)ccc2N1
InChIInChI=1S/C18H22N2O6/c21-16-6-3-12-10-13(4-5-14(12)19-16)26-8-1-2-17(22)20-7-9-25-11-15(20)18(23)24/h4-5,10,15H,1-3,6-9,11H2,(H,19,21)(H,23,24)
InChIKeyKAJGDVWRAIQHHI-UHFFFAOYSA-N
XLogP1.04
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid (CID 154740273) is 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid is O=C1CCc2cc(OCCCC(=O)N3CCOCC3C(=O)O)ccc2N1.
What is the InChIKey of 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid?
The InChIKey is KAJGDVWRAIQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c21-16-6-3-12-10-13(4-5-14(12)19-16)26-8-1-2-17(22)20-7-9-25-11-15(20)18(23)24/h4-5,10,15H,1-3,6-9,11H2,(H,19,21)(H,23,24).
What are the key properties of 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid?
4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid has a molecular weight of 362.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 154740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).