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

C19H15N3O4 — CID 946390

IUPAC6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
SMILESCOc1cccc(-c2nc(-c3cc4cc(OC)ccc4[nH]c3=O)no2)c1
InChIInChI=1S/C19H15N3O4/c1-24-13-5-3-4-11(8-13)19-21-17(22-26-19)15-10-12-9-14(25-2)6-7-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23)
InChIKeyGRCKKJCZKMRVEZ-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.26
Rot. Bonds4

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

6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one (PubChem CID 946390) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
PubChem CID946390
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
SMILESCOc1cccc(-c2nc(-c3cc4cc(OC)ccc4[nH]c3=O)no2)c1
InChIInChI=1S/C19H15N3O4/c1-24-13-5-3-4-11(8-13)19-21-17(22-26-19)15-10-12-9-14(25-2)6-7-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23)
InChIKeyGRCKKJCZKMRVEZ-UHFFFAOYSA-N
XLogP3.26
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one (CID 946390) is 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one is COc1cccc(-c2nc(-c3cc4cc(OC)ccc4[nH]c3=O)no2)c1.
What is the InChIKey of 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
The InChIKey is GRCKKJCZKMRVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-24-13-5-3-4-11(8-13)19-21-17(22-26-19)15-10-12-9-14(25-2)6-7-16(12)20-18(15)23/h3-10H,1-2H3,(H,20,23).
What are the key properties of 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one?
6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one has a molecular weight of 349.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one is sourced from PubChem (CID 946390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).