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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Related Compounds

CID 44367386
CID 44367386
CID 13756665
CID 13756665
CID 86301464
CID 86301464
CID 86301465
CID 86301465
CID 86301466
CID 86301466
CID 86301467
CID 86301467
CID 86301468
CID 86301468
CID 86301469
CID 86301469
CID 13200334
CID 13200334
CID 3058749
CID 3058749
CID 131164
CID 131164
CID 9974517
CID 9974517

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).