(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

C23H14N2O5 — CID 7825277

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H14N2O5/c26-21-15-7-1-2-8-16(15)22(27)25(21)13-30-23(28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-6-14(17)18/h1-12H,13H2
InChIKeyJHDLBTAZVRDOQA-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.91
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 7825277) has the molecular formula C23H14N2O5 and a molecular weight of 398.37 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID7825277
Molecular FormulaC23H14N2O5
Molecular Weight398.37 g/mol
Exact Mass398.09
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H14N2O5/c26-21-15-7-1-2-8-16(15)22(27)25(21)13-30-23(28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-6-14(17)18/h1-12H,13H2
InChIKeyJHDLBTAZVRDOQA-UHFFFAOYSA-N
XLogP3.91
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 3995966
(1,3-dioxoisoindol-2-yl)methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682221
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8651884
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761884
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761958
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825266
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2659548
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 7825277) is (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is O=C(OCN1C(=O)c2ccccc2C1=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is JHDLBTAZVRDOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O5/c26-21-15-7-1-2-8-16(15)22(27)25(21)13-30-23(28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-6-14(17)18/h1-12H,13H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 398.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 7825277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).