4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione

C14H13N3O3 — CID 61311549

IUPAC4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
SMILESNc1ccc(CN2C(=O)COCC2=O)c2ncccc12
InChIInChI=1S/C14H13N3O3/c15-11-4-3-9(14-10(11)2-1-5-16-14)6-17-12(18)7-20-8-13(17)19/h1-5H,6-8,15H2
InChIKeyNQGWIKMTRDFKDB-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.70
Rot. Bonds2

About 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione

4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione (PubChem CID 61311549) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
PubChem CID61311549
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
SMILESNc1ccc(CN2C(=O)COCC2=O)c2ncccc12
InChIInChI=1S/C14H13N3O3/c15-11-4-3-9(14-10(11)2-1-5-16-14)6-17-12(18)7-20-8-13(17)19/h1-5H,6-8,15H2
InChIKeyNQGWIKMTRDFKDB-UHFFFAOYSA-N
XLogP0.70
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione (CID 61311549) is 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione is Nc1ccc(CN2C(=O)COCC2=O)c2ncccc12.
What is the InChIKey of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione?
The InChIKey is NQGWIKMTRDFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-11-4-3-9(14-10(11)2-1-5-16-14)6-17-12(18)7-20-8-13(17)19/h1-5H,6-8,15H2.
What are the key properties of 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione?
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione has a molecular weight of 271.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 61311549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).