2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole

C14H15F2N3O — CID 71850634

IUPAC2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCCc3c(F)ccc(F)c32)o1
InChIInChI=1S/C14H15F2N3O/c1-2-12-17-18-13(20-12)8-19-7-3-4-9-10(15)5-6-11(16)14(9)19/h5-6H,2-4,7-8H2,1H3
InChIKeyVDUAIFRHDYNMBL-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.86
Rot. Bonds3

About 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole

2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 71850634) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID71850634
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCCc3c(F)ccc(F)c32)o1
InChIInChI=1S/C14H15F2N3O/c1-2-12-17-18-13(20-12)8-19-7-3-4-9-10(15)5-6-11(16)14(9)19/h5-6H,2-4,7-8H2,1H3
InChIKeyVDUAIFRHDYNMBL-UHFFFAOYSA-N
XLogP2.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (CID 71850634) is 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CN2CCCc3c(F)ccc(F)c32)o1.
What is the InChIKey of 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is VDUAIFRHDYNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-12-17-18-13(20-12)8-19-7-3-4-9-10(15)5-6-11(16)14(9)19/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 279.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 71850634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).