3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole

C17H23FN4O — CID 99799936

IUPAC3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(CN2CCN(CCC)c3ccc(F)cc32)no1
InChIInChI=1S/C17H23FN4O/c1-3-5-17-19-16(20-23-17)12-22-10-9-21(8-4-2)14-7-6-13(18)11-15(14)22/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyWOASILPRWREKHK-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.40
Rot. Bonds6

About 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole

3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 99799936) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID99799936
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(CN2CCN(CCC)c3ccc(F)cc32)no1
InChIInChI=1S/C17H23FN4O/c1-3-5-17-19-16(20-23-17)12-22-10-9-21(8-4-2)14-7-6-13(18)11-15(14)22/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyWOASILPRWREKHK-UHFFFAOYSA-N
XLogP3.40
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole (CID 99799936) is 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(CN2CCN(CCC)c3ccc(F)cc32)no1.
What is the InChIKey of 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is WOASILPRWREKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-3-5-17-19-16(20-23-17)12-22-10-9-21(8-4-2)14-7-6-13(18)11-15(14)22/h6-7,11H,3-5,8-10,12H2,1-2H3.
What are the key properties of 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 318.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 99799936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).