[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate

C26H20N2O5 — CID 4783907

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H20N2O5/c29-23(27-15-5-7-17-6-1-4-10-22(17)27)16-33-26(32)18-11-13-19(14-12-18)28-24(30)20-8-2-3-9-21(20)25(28)31/h1-4,6,8-14H,5,7,15-16H2
InChIKeyZJONQASNIUWVHG-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.62
Rot. Bonds4

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 4783907) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID4783907
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C26H20N2O5/c29-23(27-15-5-7-17-6-1-4-10-22(17)27)16-33-26(32)18-11-13-19(14-12-18)28-24(30)20-8-2-3-9-21(20)25(28)31/h1-4,6,8-14H,5,7,15-16H2
InChIKeyZJONQASNIUWVHG-UHFFFAOYSA-N
XLogP3.62
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404793
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 46603055
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18081809
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 3890210
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2447871
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 40691302

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate (CID 4783907) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate is O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is ZJONQASNIUWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-23(27-15-5-7-17-6-1-4-10-22(17)27)16-33-26(32)18-11-13-19(14-12-18)28-24(30)20-8-2-3-9-21(20)25(28)31/h1-4,6,8-14H,5,7,15-16H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 440.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 4783907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).