1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C18H15F2N3O2S — CID 55881907

IUPAC1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2cccs2)no1)N1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C18H15F2N3O2S/c19-12-9-11-3-1-7-23(17(11)13(20)10-12)16(24)6-5-15-21-18(22-25-15)14-4-2-8-26-14/h2,4,8-10H,1,3,5-7H2
InChIKeyYQFDDFKBCHTGHF-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.99
Rot. Bonds4

About 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 55881907) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID55881907
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC Name1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESO=C(CCc1nc(-c2cccs2)no1)N1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C18H15F2N3O2S/c19-12-9-11-3-1-7-23(17(11)13(20)10-12)16(24)6-5-15-21-18(22-25-15)14-4-2-8-26-14/h2,4,8-10H,1,3,5-7H2
InChIKeyYQFDDFKBCHTGHF-UHFFFAOYSA-N
XLogP3.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107565
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107563
1-[4-(2-phenylethyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18121597
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356502
N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
1-(3-methylpiperidin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18105333
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 30898730
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 119137745
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18143113
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 55881907) is 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is O=C(CCc1nc(-c2cccs2)no1)N1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is YQFDDFKBCHTGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c19-12-9-11-3-1-7-23(17(11)13(20)10-12)16(24)6-5-15-21-18(22-25-15)14-4-2-8-26-14/h2,4,8-10H,1,3,5-7H2.
What are the key properties of 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 375.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 55881907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).