3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C20H19N3O3 — CID 166314334

IUPAC3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOc1cccc(/C=C/c2nc(-c3cc4c([nH]c3=O)CCCC4)no2)c1
InChIInChI=1S/C20H19N3O3/c1-25-15-7-4-5-13(11-15)9-10-18-22-19(23-26-18)16-12-14-6-2-3-8-17(14)21-20(16)24/h4-5,7,9-12H,2-3,6,8H2,1H3,(H,21,24)/b10-9+
InChIKeyCWFNBLIUKAKAIF-MDZDMXLPSA-N
MW349.39 g/mol
LogP3.48
Rot. Bonds4

About 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 166314334) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID166314334
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOc1cccc(/C=C/c2nc(-c3cc4c([nH]c3=O)CCCC4)no2)c1
InChIInChI=1S/C20H19N3O3/c1-25-15-7-4-5-13(11-15)9-10-18-22-19(23-26-18)16-12-14-6-2-3-8-17(14)21-20(16)24/h4-5,7,9-12H,2-3,6,8H2,1H3,(H,21,24)/b10-9+
InChIKeyCWFNBLIUKAKAIF-MDZDMXLPSA-N
XLogP3.48
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(E)-2-[3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 167798458
3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one
CID 167890761
6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine
CID 74412787
1-[5-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864766
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CID 167868529
3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one
CID 141221396
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CID 18083407
3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
CID 945708
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
(7R)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8586277
2-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine
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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 166314334) is 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is COc1cccc(/C=C/c2nc(-c3cc4c([nH]c3=O)CCCC4)no2)c1.
What is the InChIKey of 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is CWFNBLIUKAKAIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-7-4-5-13(11-15)9-10-18-22-19(23-26-18)16-12-14-6-2-3-8-17(14)21-20(16)24/h4-5,7,9-12H,2-3,6,8H2,1H3,(H,21,24)/b10-9+.
What are the key properties of 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-(3-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 166314334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).