1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C18H18ClN3O2 — CID 136572095

IUPAC1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1(c2nc(Cc3ccc(Cl)c4cccnc34)no2)CCCCC1
InChIInChI=1S/C18H18ClN3O2/c19-14-7-6-12(16-13(14)5-4-10-20-16)11-15-21-17(24-22-15)18(23)8-2-1-3-9-18/h4-7,10,23H,1-3,8-9,11H2
InChIKeyRRBXHMLHEQVFJK-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.01
Rot. Bonds3

About 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 136572095) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID136572095
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1(c2nc(Cc3ccc(Cl)c4cccnc34)no2)CCCCC1
InChIInChI=1S/C18H18ClN3O2/c19-14-7-6-12(16-13(14)5-4-10-20-16)11-15-21-17(24-22-15)18(23)8-2-1-3-9-18/h4-7,10,23H,1-3,8-9,11H2
InChIKeyRRBXHMLHEQVFJK-UHFFFAOYSA-N
XLogP4.01
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950155
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055
1-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
CID 132984357
1-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 82787634
1-[5-[(5-chloroquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855059
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 115960548
N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine
CID 116783635
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433753
4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
CID 111431912

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 136572095) is 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is OC1(c2nc(Cc3ccc(Cl)c4cccnc34)no2)CCCCC1.
What is the InChIKey of 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is RRBXHMLHEQVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-7-6-12(16-13(14)5-4-10-20-16)11-15-21-17(24-22-15)18(23)8-2-1-3-9-18/h4-7,10,23H,1-3,8-9,11H2.
What are the key properties of 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 343.81 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 136572095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).