6-fluoro-7-methoxy-7H-isoquinolin-1-one

C10H8FNO2 — CID 178186256

IUPAC6-fluoro-7-methoxy-7H-isoquinolin-1-one
SMILESCOC1C=C2C(=O)N=CC=C2C=C1F
InChIInChI=1S/C10H8FNO2/c1-14-9-5-7-6(4-8(9)11)2-3-12-10(7)13/h2-5,9H,1H3
InChIKeySJUFESOOVBFBAS-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.33
Rot. Bonds1

About 6-fluoro-7-methoxy-7H-isoquinolin-1-one

6-fluoro-7-methoxy-7H-isoquinolin-1-one (PubChem CID 178186256) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-7H-isoquinolin-1-one.

Molecular Properties

Compound Name6-fluoro-7-methoxy-7H-isoquinolin-1-one
PubChem CID178186256
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-fluoro-7-methoxy-7H-isoquinolin-1-one
SMILESCOC1C=C2C(=O)N=CC=C2C=C1F
InChIInChI=1S/C10H8FNO2/c1-14-9-5-7-6(4-8(9)11)2-3-12-10(7)13/h2-5,9H,1H3
InChIKeySJUFESOOVBFBAS-UHFFFAOYSA-N
XLogP1.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6-methoxy-8aH-isoquinolin-1-one
CID 91363585
5-methoxy-5H-isoquinolin-1-one
CID 45024331
6,7-dimethoxy-7H-isoquinolin-1-one
CID 71650431

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-7H-isoquinolin-1-one?
The IUPAC name of 6-fluoro-7-methoxy-7H-isoquinolin-1-one (CID 178186256) is 6-fluoro-7-methoxy-7H-isoquinolin-1-one.
What is the SMILES notation for 6-fluoro-7-methoxy-7H-isoquinolin-1-one?
The canonical SMILES for 6-fluoro-7-methoxy-7H-isoquinolin-1-one is COC1C=C2C(=O)N=CC=C2C=C1F.
What is the InChIKey of 6-fluoro-7-methoxy-7H-isoquinolin-1-one?
The InChIKey is SJUFESOOVBFBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-9-5-7-6(4-8(9)11)2-3-12-10(7)13/h2-5,9H,1H3.
What are the key properties of 6-fluoro-7-methoxy-7H-isoquinolin-1-one?
6-fluoro-7-methoxy-7H-isoquinolin-1-one has a molecular weight of 193.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-7H-isoquinolin-1-one is sourced from PubChem (CID 178186256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).