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

C19H16N4O3 — CID 89476296

IUPAC6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCc3nnc(NCc4ccccc4)o3)ccc2[nH]1
InChIInChI=1S/C19H16N4O3/c24-17-9-6-14-10-15(7-8-16(14)21-17)25-12-18-22-23-19(26-18)20-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,23)(H,21,24)
InChIKeyMYLOGZIMLIVYLP-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.10
Rot. Bonds6

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

6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one (PubChem CID 89476296) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one
PubChem CID89476296
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCc3nnc(NCc4ccccc4)o3)ccc2[nH]1
InChIInChI=1S/C19H16N4O3/c24-17-9-6-14-10-15(7-8-16(14)21-17)25-12-18-22-23-19(26-18)20-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,23)(H,21,24)
InChIKeyMYLOGZIMLIVYLP-UHFFFAOYSA-N
XLogP3.10
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one (CID 89476296) is 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one is O=c1ccc2cc(OCc3nnc(NCc4ccccc4)o3)ccc2[nH]1.
What is the InChIKey of 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one?
The InChIKey is MYLOGZIMLIVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-17-9-6-14-10-15(7-8-16(14)21-17)25-12-18-22-23-19(26-18)20-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one?
6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one has a molecular weight of 348.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(benzylamino)-1,3,4-oxadiazol-2-yl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 89476296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).