(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone

C17H12FNO2 — CID 103134021

IUPAC(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone
SMILESCOc1cccc(F)c1C(=O)c1cccc2ccncc12
InChIInChI=1S/C17H12FNO2/c1-21-15-7-3-6-14(18)16(15)17(20)12-5-2-4-11-8-9-19-10-13(11)12/h2-10H,1H3
InChIKeyGYJASQKOFASVBX-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.61
Rot. Bonds3

About (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone

(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone (PubChem CID 103134021) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone
PubChem CID103134021
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone
SMILESCOc1cccc(F)c1C(=O)c1cccc2ccncc12
InChIInChI=1S/C17H12FNO2/c1-21-15-7-3-6-14(18)16(15)17(20)12-5-2-4-11-8-9-19-10-13(11)12/h2-10H,1H3
InChIKeyGYJASQKOFASVBX-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
CID 103134060
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 103133944

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone?
The IUPAC name of (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone (CID 103134021) is (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone.
What is the SMILES notation for (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone?
The canonical SMILES for (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone is COc1cccc(F)c1C(=O)c1cccc2ccncc12.
What is the InChIKey of (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone?
The InChIKey is GYJASQKOFASVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-21-15-7-3-6-14(18)16(15)17(20)12-5-2-4-11-8-9-19-10-13(11)12/h2-10H,1H3.
What are the key properties of (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone?
(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone has a molecular weight of 281.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone is sourced from PubChem (CID 103134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).