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

C13H12N4O2 — CID 139658813

IUPAC3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
SMILESCN(C)c1nnc(-c2cc3ccccc3[nH]c2=O)o1
InChIInChI=1S/C13H12N4O2/c1-17(2)13-16-15-12(19-13)9-7-8-5-3-4-6-10(8)14-11(9)18/h3-7H,1-2H3,(H,14,18)
InChIKeyZFBYSCYQLMGLFX-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.64
Rot. Bonds2

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

3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one (PubChem CID 139658813) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
PubChem CID139658813
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
SMILESCN(C)c1nnc(-c2cc3ccccc3[nH]c2=O)o1
InChIInChI=1S/C13H12N4O2/c1-17(2)13-16-15-12(19-13)9-7-8-5-3-4-6-10(8)14-11(9)18/h3-7H,1-2H3,(H,14,18)
InChIKeyZFBYSCYQLMGLFX-UHFFFAOYSA-N
XLogP1.64
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one (CID 139658813) is 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one is CN(C)c1nnc(-c2cc3ccccc3[nH]c2=O)o1.
What is the InChIKey of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
The InChIKey is ZFBYSCYQLMGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17(2)13-16-15-12(19-13)9-7-8-5-3-4-6-10(8)14-11(9)18/h3-7H,1-2H3,(H,14,18).
What are the key properties of 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 139658813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).