6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one

C16H15N3O3 — CID 97438027

IUPAC6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(-c3nc([C@H]4CCOC4)no3)c2c1
InChIInChI=1S/C16H15N3O3/c1-9-2-3-13-11(6-9)12(7-14(20)17-13)16-18-15(19-22-16)10-4-5-21-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyTWZSGTPFRHEQEF-JTQLQIEISA-N
MW297.31 g/mol
LogP2.39
Rot. Bonds2

About 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one

6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one (PubChem CID 97438027) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
PubChem CID97438027
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(-c3nc([C@H]4CCOC4)no3)c2c1
InChIInChI=1S/C16H15N3O3/c1-9-2-3-13-11(6-9)12(7-14(20)17-13)16-18-15(19-22-16)10-4-5-21-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyTWZSGTPFRHEQEF-JTQLQIEISA-N
XLogP2.39
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437360
5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72914270
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(2-methoxyquinolin-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434816
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434815
4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329788
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one (CID 97438027) is 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(-c3nc([C@H]4CCOC4)no3)c2c1.
What is the InChIKey of 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
The InChIKey is TWZSGTPFRHEQEF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9-2-3-13-11(6-9)12(7-14(20)17-13)16-18-15(19-22-16)10-4-5-21-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one?
6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one is sourced from PubChem (CID 97438027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).