7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one

C17H16F2N2OS — CID 176688054

IUPAC7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one
SMILESCCCC(F)Cn1ccc2cc(-c3nccs3)c(F)cc2c1=O
InChIInChI=1S/C17H16F2N2OS/c1-2-3-12(18)10-21-6-4-11-8-14(16-20-5-7-23-16)15(19)9-13(11)17(21)22/h4-9,12H,2-3,10H2,1H3
InChIKeyGVSZWNPPAMAQTB-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.40
Rot. Bonds5

About 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one

7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one (PubChem CID 176688054) has the molecular formula C17H16F2N2OS and a molecular weight of 334.39 g/mol. Its IUPAC name is 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one.

Molecular Properties

Compound Name7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one
PubChem CID176688054
Molecular FormulaC17H16F2N2OS
Molecular Weight334.39 g/mol
Exact Mass334.10
IUPAC Name7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one
SMILESCCCC(F)Cn1ccc2cc(-c3nccs3)c(F)cc2c1=O
InChIInChI=1S/C17H16F2N2OS/c1-2-3-12(18)10-21-6-4-11-8-14(16-20-5-7-23-16)15(19)9-13(11)17(21)22/h4-9,12H,2-3,10H2,1H3
InChIKeyGVSZWNPPAMAQTB-UHFFFAOYSA-N
XLogP4.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one?
The IUPAC name of 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one (CID 176688054) is 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one.
What is the SMILES notation for 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one?
The canonical SMILES for 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one is CCCC(F)Cn1ccc2cc(-c3nccs3)c(F)cc2c1=O.
What is the InChIKey of 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one?
The InChIKey is GVSZWNPPAMAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2OS/c1-2-3-12(18)10-21-6-4-11-8-14(16-20-5-7-23-16)15(19)9-13(11)17(21)22/h4-9,12H,2-3,10H2,1H3.
What are the key properties of 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one?
7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one has a molecular weight of 334.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(2-fluoropentyl)-6-(1,3-thiazol-2-yl)isoquinolin-1-one is sourced from PubChem (CID 176688054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).