6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one

C19H15N3O3 — CID 939351

IUPAC6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4C)n3)cc2c1
InChIInChI=1S/C19H15N3O3/c1-11-5-3-4-6-14(11)19-21-17(22-25-19)15-10-12-9-13(24-2)7-8-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23)
InChIKeyGSKSQQIMORPQGU-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.56
Rot. Bonds3

About 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one

6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one (PubChem CID 939351) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
PubChem CID939351
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4C)n3)cc2c1
InChIInChI=1S/C19H15N3O3/c1-11-5-3-4-6-14(11)19-21-17(22-25-19)15-10-12-9-13(24-2)7-8-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23)
InChIKeyGSKSQQIMORPQGU-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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one (CID 939351) is 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4C)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The InChIKey is GSKSQQIMORPQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-11-5-3-4-6-14(11)19-21-17(22-25-19)15-10-12-9-13(24-2)7-8-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23).
What are the key properties of 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-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 6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one is sourced from PubChem (CID 939351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).