(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate

C20H18N2O5 — CID 75402631

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
SMILESO=C1CCc2cc(OC(=O)CN3C(=O)C4C5C=CC(C5)C4C3=O)ccc2N1
InChIInChI=1S/C20H18N2O5/c23-15-6-3-10-8-13(4-5-14(10)21-15)27-16(24)9-22-19(25)17-11-1-2-12(7-11)18(17)20(22)26/h1-2,4-5,8,11-12,17-18H,3,6-7,9H2,(H,21,23)
InChIKeyGULFADYWBYKABC-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.28
Rot. Bonds3

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate (PubChem CID 75402631) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
PubChem CID75402631
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
SMILESO=C1CCc2cc(OC(=O)CN3C(=O)C4C5C=CC(C5)C4C3=O)ccc2N1
InChIInChI=1S/C20H18N2O5/c23-15-6-3-10-8-13(4-5-14(10)21-15)27-16(24)9-22-19(25)17-11-1-2-12(7-11)18(17)20(22)26/h1-2,4-5,8,11-12,17-18H,3,6-7,9H2,(H,21,23)
InChIKeyGULFADYWBYKABC-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate (CID 75402631) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate is O=C1CCc2cc(OC(=O)CN3C(=O)C4C5C=CC(C5)C4C3=O)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate?
The InChIKey is GULFADYWBYKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-15-6-3-10-8-13(4-5-14(10)21-15)27-16(24)9-22-19(25)17-11-1-2-12(7-11)18(17)20(22)26/h1-2,4-5,8,11-12,17-18H,3,6-7,9H2,(H,21,23).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate has a molecular weight of 366.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate is sourced from PubChem (CID 75402631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).