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

C16H9BrN2O2 — CID 136845184

IUPAC2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4cc(Br)ccc4o3)nc12
InChIInChI=1S/C16H9BrN2O2/c17-10-5-7-14-12(8-10)19-16(21-14)11-6-4-9-2-1-3-13(20)15(9)18-11/h1-8,20H
InChIKeyHHWHOORWXVBGRL-UHFFFAOYSA-N
MW341.16 g/mol
LogP4.51
Rot. Bonds1

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

2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol (PubChem CID 136845184) has the molecular formula C16H9BrN2O2 and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol
PubChem CID136845184
Molecular FormulaC16H9BrN2O2
Molecular Weight341.16 g/mol
Exact Mass339.98
IUPAC Name2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4cc(Br)ccc4o3)nc12
InChIInChI=1S/C16H9BrN2O2/c17-10-5-7-14-12(8-10)19-16(21-14)11-6-4-9-2-1-3-13(20)15(9)18-11/h1-8,20H
InChIKeyHHWHOORWXVBGRL-UHFFFAOYSA-N
XLogP4.51
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
2-amino-6-(5-bromo-1,3-benzoxazol-2-yl)phenol
CID 136712813
sodium;tetrakis(2-(1,3-benzoxazol-2-yl)quinolin-8-olate);ytterbium(3+)
CID 139126968
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
5-bromo-2-(3-tert-butylphenyl)-1,3-benzoxazole
CID 172609477
5-(5-bromo-1,3-benzoxazol-2-yl)benzene-1,3-diamine
CID 114003786
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 142897927
2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 55154764
5-bromo-2-(3-nitrophenyl)-1,3-benzoxazole
CID 177345342
5-bromo-2-(2,3-dihydro-1H-isoindol-5-yl)-1,3-benzoxazole
CID 103999577
5-bromo-2-(dichloromethyl)-1,3-benzoxazole
CID 119086181

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol?
The IUPAC name of 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol (CID 136845184) is 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol.
What is the SMILES notation for 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol?
The canonical SMILES for 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol is Oc1cccc2ccc(-c3nc4cc(Br)ccc4o3)nc12.
What is the InChIKey of 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol?
The InChIKey is HHWHOORWXVBGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O2/c17-10-5-7-14-12(8-10)19-16(21-14)11-6-4-9-2-1-3-13(20)15(9)18-11/h1-8,20H.
What are the key properties of 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol?
2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol has a molecular weight of 341.16 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-benzoxazol-2-yl)quinolin-8-ol is sourced from PubChem (CID 136845184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).