6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one

C17H15N3O6 — CID 156522206

IUPAC6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one
SMILESO=C1CC(CO)(CO)Nc2ccc(-c3nc(-c4ccc(O)o4)no3)cc21
InChIInChI=1S/C17H15N3O6/c21-7-17(8-22)6-12(23)10-5-9(1-2-11(10)19-17)16-18-15(20-26-16)13-3-4-14(24)25-13/h1-5,19,21-22,24H,6-8H2
InChIKeyMSCVQODSKRLTHL-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.42
Rot. Bonds4

About 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one

6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one (PubChem CID 156522206) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one
PubChem CID156522206
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one
SMILESO=C1CC(CO)(CO)Nc2ccc(-c3nc(-c4ccc(O)o4)no3)cc21
InChIInChI=1S/C17H15N3O6/c21-7-17(8-22)6-12(23)10-5-9(1-2-11(10)19-17)16-18-15(20-26-16)13-3-4-14(24)25-13/h1-5,19,21-22,24H,6-8H2
InChIKeyMSCVQODSKRLTHL-UHFFFAOYSA-N
XLogP1.42
TPSA141.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one?
The IUPAC name of 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one (CID 156522206) is 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one?
The canonical SMILES for 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one is O=C1CC(CO)(CO)Nc2ccc(-c3nc(-c4ccc(O)o4)no3)cc21.
What is the InChIKey of 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one?
The InChIKey is MSCVQODSKRLTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c21-7-17(8-22)6-12(23)10-5-9(1-2-11(10)19-17)16-18-15(20-26-16)13-3-4-14(24)25-13/h1-5,19,21-22,24H,6-8H2.
What are the key properties of 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one?
6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one has a molecular weight of 357.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-hydroxyfuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-bis(hydroxymethyl)-1,3-dihydroquinolin-4-one is sourced from PubChem (CID 156522206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).