2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone

C17H13NO2 — CID 103458218

IUPAC2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
SMILESO=C(c1cccc2ccncc12)C(O)c1ccccc1
InChIInChI=1S/C17H13NO2/c19-16(13-5-2-1-3-6-13)17(20)14-8-4-7-12-9-10-18-11-15(12)14/h1-11,16,19H
InChIKeyWROZICNNBBYZKT-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.15
Rot. Bonds3

About 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone

2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone (PubChem CID 103458218) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
PubChem CID103458218
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
SMILESO=C(c1cccc2ccncc12)C(O)c1ccccc1
InChIInChI=1S/C17H13NO2/c19-16(13-5-2-1-3-6-13)17(20)14-8-4-7-12-9-10-18-11-15(12)14/h1-11,16,19H
InChIKeyWROZICNNBBYZKT-UHFFFAOYSA-N
XLogP3.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
CID 103133119
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
isoquinoline-8-carboxylate
CID 86306452
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]acetic acid
CID 69479306
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
1-isoquinolin-8-yl-2-phenylbutan-1-ol
CID 103139135
2-amino-1-isoquinolin-5-yl-3-phenylpropan-1-one
CID 116552610
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone (CID 103458218) is 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone is O=C(c1cccc2ccncc12)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone?
The InChIKey is WROZICNNBBYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16(13-5-2-1-3-6-13)17(20)14-8-4-7-12-9-10-18-11-15(12)14/h1-11,16,19H.
What are the key properties of 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone?
2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone has a molecular weight of 263.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone is sourced from PubChem (CID 103458218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).