3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide

C17H14N2O4 — CID 72697723

IUPAC3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide
SMILESCOc1cc(O)c2c(=O)n(-c3cccc(C(N)=O)c3)ccc2c1
InChIInChI=1S/C17H14N2O4/c1-23-13-8-10-5-6-19(17(22)15(10)14(20)9-13)12-4-2-3-11(7-12)16(18)21/h2-9,20H,1H3,(H2,18,21)
InChIKeyUDMOTEQNAJOXAU-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.80
Rot. Bonds3

About 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide

3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide (PubChem CID 72697723) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide.

Molecular Properties

Compound Name3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide
PubChem CID72697723
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide
SMILESCOc1cc(O)c2c(=O)n(-c3cccc(C(N)=O)c3)ccc2c1
InChIInChI=1S/C17H14N2O4/c1-23-13-8-10-5-6-19(17(22)15(10)14(20)9-13)12-4-2-3-11(7-12)16(18)21/h2-9,20H,1H3,(H2,18,21)
InChIKeyUDMOTEQNAJOXAU-UHFFFAOYSA-N
XLogP1.80
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide?
The IUPAC name of 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide (CID 72697723) is 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide.
What is the SMILES notation for 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide?
The canonical SMILES for 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide is COc1cc(O)c2c(=O)n(-c3cccc(C(N)=O)c3)ccc2c1.
What is the InChIKey of 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide?
The InChIKey is UDMOTEQNAJOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-13-8-10-5-6-19(17(22)15(10)14(20)9-13)12-4-2-3-11(7-12)16(18)21/h2-9,20H,1H3,(H2,18,21).
What are the key properties of 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide?
3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide has a molecular weight of 310.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxy-6-methoxy-1-oxoisoquinolin-2-yl)benzamide is sourced from PubChem (CID 72697723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).