5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol

C17H12N2O2S — CID 4621437

IUPAC5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol
SMILESOc1ccc(CSc2nc3ccccc3o2)c2cccnc12
InChIInChI=1S/C17H12N2O2S/c20-14-8-7-11(12-4-3-9-18-16(12)14)10-22-17-19-13-5-1-2-6-15(13)21-17/h1-9,20H,10H2
InChIKeyPRKZHAXVRWAXAG-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.37
Rot. Bonds3

About 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol

5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol (PubChem CID 4621437) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol
PubChem CID4621437
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol
SMILESOc1ccc(CSc2nc3ccccc3o2)c2cccnc12
InChIInChI=1S/C17H12N2O2S/c20-14-8-7-11(12-4-3-9-18-16(12)14)10-22-17-19-13-5-1-2-6-15(13)21-17/h1-9,20H,10H2
InChIKeyPRKZHAXVRWAXAG-UHFFFAOYSA-N
XLogP4.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
(5-fluoroquinolin-8-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 55649258
5-[[5-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinolin-8-ol
CID 171115807
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62467130
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-pyrrole-2,5-diol
CID 54302392
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
CID 851419
2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4073218
[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765066
[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790817
5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-fluoroaniline
CID 107349771
4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467489

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol?
The IUPAC name of 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol (CID 4621437) is 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol is Oc1ccc(CSc2nc3ccccc3o2)c2cccnc12.
What is the InChIKey of 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol?
The InChIKey is PRKZHAXVRWAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-14-8-7-11(12-4-3-9-18-16(12)14)10-22-17-19-13-5-1-2-6-15(13)21-17/h1-9,20H,10H2.
What are the key properties of 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol?
5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol has a molecular weight of 308.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol is sourced from PubChem (CID 4621437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).