6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one

C22H21N3O2 — CID 51364450

IUPAC6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H21N3O2/c1-4-10-25-13-18(20(26)17-12-15(3)8-9-19(17)25)22-23-21(24-27-22)16-7-5-6-14(2)11-16/h5-9,11-13H,4,10H2,1-3H3
InChIKeyXCWXEIWTWNZYBX-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.75
Rot. Bonds4

About 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one

6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one (PubChem CID 51364450) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one.

Molecular Properties

Compound Name6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
PubChem CID51364450
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H21N3O2/c1-4-10-25-13-18(20(26)17-12-15(3)8-9-19(17)25)22-23-21(24-27-22)16-7-5-6-14(2)11-16/h5-9,11-13H,4,10H2,1-3H3
InChIKeyXCWXEIWTWNZYBX-UHFFFAOYSA-N
XLogP4.75
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
CID 53087009
1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364418
6-methyl-1-propyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364452
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
CID 51364449
1-[(2,5-dimethylphenyl)methyl]-6-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 22424595
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364430
1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 53086934
3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364435
1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
CID 53087001
6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 29128652
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308
N-[(3-methoxyphenyl)methyl]-2-[7-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833394

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
The IUPAC name of 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one (CID 51364450) is 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one.
What is the SMILES notation for 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
The canonical SMILES for 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one is CCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
The InChIKey is XCWXEIWTWNZYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-4-10-25-13-18(20(26)17-12-15(3)8-9-19(17)25)22-23-21(24-27-22)16-7-5-6-14(2)11-16/h5-9,11-13H,4,10H2,1-3H3.
What are the key properties of 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one?
6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one has a molecular weight of 359.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one is sourced from PubChem (CID 51364450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).