6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one

C21H19N3O2 — CID 53087009

IUPAC6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H19N3O2/c1-3-11-24-13-17(19(25)16-12-14(2)9-10-18(16)24)21-22-20(23-26-21)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
InChIKeyQLALNKNUDBRIKR-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.44
Rot. Bonds4

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

6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one (PubChem CID 53087009) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one.

Molecular Properties

Compound Name6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
PubChem CID53087009
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
SMILESCCCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H19N3O2/c1-3-11-24-13-17(19(25)16-12-14(2)9-10-18(16)24)21-22-20(23-26-21)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
InChIKeyQLALNKNUDBRIKR-UHFFFAOYSA-N
XLogP4.44
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
CID 51364449
1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364418
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
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-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
5-[4-[3,6-bis(3,6-dimethylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499416
N-(2-ethylphenyl)-2-[7-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833323
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one?
The IUPAC name of 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one (CID 53087009) is 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one.
What is the SMILES notation for 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one?
The canonical SMILES for 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one is CCCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one?
The InChIKey is QLALNKNUDBRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-11-24-13-17(19(25)16-12-14(2)9-10-18(16)24)21-22-20(23-26-21)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3.
What are the key properties of 6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one?
6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 4.44, 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-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one is sourced from PubChem (CID 53087009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).