(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

C23H15N3O4 — CID 8761958

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H15N3O4/c27-23(29-14-21-25-22(26-30-21)15-7-2-1-3-8-15)17-13-19(20-11-6-12-28-20)24-18-10-5-4-9-16(17)18/h1-13H,14H2
InChIKeyGWSKVTUCYBJPEQ-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.90
Rot. Bonds5

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 8761958) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID8761958
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H15N3O4/c27-23(29-14-21-25-22(26-30-21)15-7-2-1-3-8-15)17-13-19(20-11-6-12-28-20)24-18-10-5-4-9-16(17)18/h1-13H,14H2
InChIKeyGWSKVTUCYBJPEQ-UHFFFAOYSA-N
XLogP4.90
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloroquinoline-4-carboxylate
CID 9009995
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 71898209
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761884
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
CID 55624697
(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2631168
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 8761958) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is O=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is GWSKVTUCYBJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c27-23(29-14-21-25-22(26-30-21)15-7-2-1-3-8-15)17-13-19(20-11-6-12-28-20)24-18-10-5-4-9-16(17)18/h1-13H,14H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 8761958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).