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

C23H23N3O4 — CID 51364449

IUPAC3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3cc(OC)cc(OC)c3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H23N3O4/c1-5-8-26-13-19(21(27)18-9-14(2)6-7-20(18)26)23-24-22(25-30-23)15-10-16(28-3)12-17(11-15)29-4/h6-7,9-13H,5,8H2,1-4H3
InChIKeyVOTGTHZQMIWKMM-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.45
Rot. Bonds6

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

3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one (PubChem CID 51364449) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one.

Molecular Properties

Compound Name3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
PubChem CID51364449
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3cc(OC)cc(OC)c3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H23N3O4/c1-5-8-26-13-19(21(27)18-9-14(2)6-7-20(18)26)23-24-22(25-30-23)15-10-16(28-3)12-17(11-15)29-4/h6-7,9-13H,5,8H2,1-4H3
InChIKeyVOTGTHZQMIWKMM-UHFFFAOYSA-N
XLogP4.45
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
CID 53087009
6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364450
6-methyl-1-propyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364452
1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364418
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
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethylphenyl)isoquinolin-1-one
CID 51364339
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
N-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833391

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one?
The IUPAC name of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one (CID 51364449) is 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one.
What is the SMILES notation for 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one?
The canonical SMILES for 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one is CCCn1cc(-c2nc(-c3cc(OC)cc(OC)c3)no2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one?
The InChIKey is VOTGTHZQMIWKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-5-8-26-13-19(21(27)18-9-14(2)6-7-20(18)26)23-24-22(25-30-23)15-10-16(28-3)12-17(11-15)29-4/h6-7,9-13H,5,8H2,1-4H3.
What are the key properties of 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one?
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one has a molecular weight of 405.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one is sourced from PubChem (CID 51364449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).