7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C18H20N4O5 — CID 39337849

IUPAC7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3noc(C(=O)N4CCC(O)CC4)n3)cc2N1
InChIInChI=1S/C18H20N4O5/c23-12-5-7-22(8-6-12)18(25)17-20-15(21-27-17)10-26-13-3-1-11-2-4-16(24)19-14(11)9-13/h1,3,9,12,23H,2,4-8,10H2,(H,19,24)
InChIKeyALKRFWJAGJGOSH-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.13
Rot. Bonds4

About 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 39337849) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID39337849
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3noc(C(=O)N4CCC(O)CC4)n3)cc2N1
InChIInChI=1S/C18H20N4O5/c23-12-5-7-22(8-6-12)18(25)17-20-15(21-27-17)10-26-13-3-1-11-2-4-16(24)19-14(11)9-13/h1,3,9,12,23H,2,4-8,10H2,(H,19,24)
InChIKeyALKRFWJAGJGOSH-UHFFFAOYSA-N
XLogP1.13
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 39337849) is 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCc3noc(C(=O)N4CCC(O)CC4)n3)cc2N1.
What is the InChIKey of 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ALKRFWJAGJGOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c23-12-5-7-22(8-6-12)18(25)17-20-15(21-27-17)10-26-13-3-1-11-2-4-16(24)19-14(11)9-13/h1,3,9,12,23H,2,4-8,10H2,(H,19,24).
What are the key properties of 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 372.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 39337849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).