2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate

C20H14N2O5 — CID 2387645

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H14N2O5/c23-17-11-15(12-5-3-4-8-16(12)21-17)20(26)27-10-9-22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,11H,9-10H2,(H,21,23)
InChIKeyYPSPENBNSISPNA-UHFFFAOYSA-N
MW362.34 g/mol
LogP1.98
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2387645) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2387645
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H14N2O5/c23-17-11-15(12-5-3-4-8-16(12)21-17)20(26)27-10-9-22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,11H,9-10H2,(H,21,23)
InChIKeyYPSPENBNSISPNA-UHFFFAOYSA-N
XLogP1.98
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate (CID 2387645) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate is O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YPSPENBNSISPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c23-17-11-15(12-5-3-4-8-16(12)21-17)20(26)27-10-9-22-18(24)13-6-1-2-7-14(13)19(22)25/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 362.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2387645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).