7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one

C15H14N2O3 — CID 84594385

IUPAC7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
SMILESCOc1ccc2ccn(Cc3cc(C)on3)c(=O)c2c1
InChIInChI=1S/C15H14N2O3/c1-10-7-12(16-20-10)9-17-6-5-11-3-4-13(19-2)8-14(11)15(17)18/h3-8H,9H2,1-2H3
InChIKeyUUVUTEMKFPEJDZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.35
Rot. Bonds3

About 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one

7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one (PubChem CID 84594385) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one.

Molecular Properties

Compound Name7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
PubChem CID84594385
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
SMILESCOc1ccc2ccn(Cc3cc(C)on3)c(=O)c2c1
InChIInChI=1S/C15H14N2O3/c1-10-7-12(16-20-10)9-17-6-5-11-3-4-13(19-2)8-14(11)15(17)18/h3-8H,9H2,1-2H3
InChIKeyUUVUTEMKFPEJDZ-UHFFFAOYSA-N
XLogP2.35
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one?
The IUPAC name of 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one (CID 84594385) is 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one.
What is the SMILES notation for 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one?
The canonical SMILES for 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one is COc1ccc2ccn(Cc3cc(C)on3)c(=O)c2c1.
What is the InChIKey of 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one?
The InChIKey is UUVUTEMKFPEJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-7-12(16-20-10)9-17-6-5-11-3-4-13(19-2)8-14(11)15(17)18/h3-8H,9H2,1-2H3.
What are the key properties of 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one?
7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one has a molecular weight of 270.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one is sourced from PubChem (CID 84594385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).