5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C12H14N4O2 — CID 106393854

IUPAC5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCc1ncon1
InChIInChI=1S/C12H14N4O2/c17-12-5-4-8-9(2-1-3-10(8)15-12)13-6-11-14-7-18-16-11/h4-5,7,9,13H,1-3,6H2,(H,15,17)
InChIKeyGAVSKQJSBYAMFG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.93
Rot. Bonds3

About 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 106393854) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID106393854
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCc1ncon1
InChIInChI=1S/C12H14N4O2/c17-12-5-4-8-9(2-1-3-10(8)15-12)13-6-11-14-7-18-16-11/h4-5,7,9,13H,1-3,6H2,(H,15,17)
InChIKeyGAVSKQJSBYAMFG-UHFFFAOYSA-N
XLogP0.93
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 106393854) is 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCc1ncon1.
What is the InChIKey of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is GAVSKQJSBYAMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12-5-4-8-9(2-1-3-10(8)15-12)13-6-11-14-7-18-16-11/h4-5,7,9,13H,1-3,6H2,(H,15,17).
What are the key properties of 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 106393854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).