3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one

C19H15N3O3 — CID 945708

IUPAC3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
SMILESCOc1cccc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c1
InChIInChI=1S/C19H15N3O3/c1-11-6-7-12-10-15(18(23)20-16(12)8-11)17-21-19(25-22-17)13-4-3-5-14(9-13)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyOMPKCPTVMUUVTP-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.56
Rot. Bonds3

About 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one

3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one (PubChem CID 945708) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
PubChem CID945708
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
SMILESCOc1cccc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c1
InChIInChI=1S/C19H15N3O3/c1-11-6-7-12-10-15(18(23)20-16(12)8-11)17-21-19(25-22-17)13-4-3-5-14(9-13)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyOMPKCPTVMUUVTP-UHFFFAOYSA-N
XLogP3.56
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one
CID 943820
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 136777354
5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10020896
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 851433
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one (CID 945708) is 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one is COc1cccc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
The InChIKey is OMPKCPTVMUUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-11-6-7-12-10-15(18(23)20-16(12)8-11)17-21-19(25-22-17)13-4-3-5-14(9-13)24-2/h3-10H,1-2H3,(H,20,23).
What are the key properties of 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one?
3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one has a molecular weight of 333.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 945708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).