6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

C17H13N3O3 — CID 156522207

IUPAC6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3nc(-c4ccccc4O)no3)ccc2N1
InChIInChI=1S/C17H13N3O3/c21-14-4-2-1-3-12(14)16-19-17(23-20-16)11-5-7-13-10(9-11)6-8-15(22)18-13/h1-5,7,9,21H,6,8H2,(H,18,22)
InChIKeyPZZVSOPDXDTCML-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.99
Rot. Bonds2

About 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 156522207) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID156522207
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3nc(-c4ccccc4O)no3)ccc2N1
InChIInChI=1S/C17H13N3O3/c21-14-4-2-1-3-12(14)16-19-17(23-20-16)11-5-7-13-10(9-11)6-8-15(22)18-13/h1-5,7,9,21H,6,8H2,(H,18,22)
InChIKeyPZZVSOPDXDTCML-UHFFFAOYSA-N
XLogP2.99
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid
CID 116858068
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
7-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167960643
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82483370
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
2-[5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136611537
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646300

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (CID 156522207) is 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3nc(-c4ccccc4O)no3)ccc2N1.
What is the InChIKey of 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PZZVSOPDXDTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-14-4-2-1-3-12(14)16-19-17(23-20-16)11-5-7-13-10(9-11)6-8-15(22)18-13/h1-5,7,9,21H,6,8H2,(H,18,22).
What are the key properties of 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 307.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 156522207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).