2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile

C15H9BrN4O — CID 106526103

IUPAC2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(-c2nc3ccccc3cc2Br)no1
InChIInChI=1S/C15H9BrN4O/c16-11-6-8-3-1-2-4-12(8)18-13(11)14-19-15(21-20-14)10-5-9(10)7-17/h1-4,6,9-10H,5H2
InChIKeyJFOCBTXVJNGLKD-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.67
Rot. Bonds2

About 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile

2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (PubChem CID 106526103) has the molecular formula C15H9BrN4O and a molecular weight of 341.17 g/mol. Its IUPAC name is 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
PubChem CID106526103
Molecular FormulaC15H9BrN4O
Molecular Weight341.17 g/mol
Exact Mass340.00
IUPAC Name2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1nc(-c2nc3ccccc3cc2Br)no1
InChIInChI=1S/C15H9BrN4O/c16-11-6-8-3-1-2-4-12(8)18-13(11)14-19-15(21-20-14)10-5-9(10)7-17/h1-4,6,9-10H,5H2
InChIKeyJFOCBTXVJNGLKD-UHFFFAOYSA-N
XLogP3.67
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524281
3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900764
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524414
2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523988
2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523670
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
3-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526104
2-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524431
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526792
2-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carbonitrile
CID 106523633
(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837176
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106850712

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile (CID 106526103) is 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is N#CC1CC1c1nc(-c2nc3ccccc3cc2Br)no1.
What is the InChIKey of 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
The InChIKey is JFOCBTXVJNGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O/c16-11-6-8-3-1-2-4-12(8)18-13(11)14-19-15(21-20-14)10-5-9(10)7-17/h1-4,6,9-10H,5H2.
What are the key properties of 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile?
2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile has a molecular weight of 341.17 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 106526103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).