2-(2-aminoethyl)-6-fluoroisoquinolin-1-one

C11H11FN2O — CID 82063108

IUPAC2-(2-aminoethyl)-6-fluoroisoquinolin-1-one
SMILESNCCn1ccc2cc(F)ccc2c1=O
InChIInChI=1S/C11H11FN2O/c12-9-1-2-10-8(7-9)3-5-14(6-4-13)11(10)15/h1-3,5,7H,4,6,13H2
InChIKeyRGBQLOZCBWUUIS-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.10
Rot. Bonds2

About 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one

2-(2-aminoethyl)-6-fluoroisoquinolin-1-one (PubChem CID 82063108) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-fluoroisoquinolin-1-one
PubChem CID82063108
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-(2-aminoethyl)-6-fluoroisoquinolin-1-one
SMILESNCCn1ccc2cc(F)ccc2c1=O
InChIInChI=1S/C11H11FN2O/c12-9-1-2-10-8(7-9)3-5-14(6-4-13)11(10)15/h1-3,5,7H,4,6,13H2
InChIKeyRGBQLOZCBWUUIS-UHFFFAOYSA-N
XLogP1.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
6-fluoro-2-(piperidin-4-ylmethyl)isoquinolin-1-one
CID 82151065
3-(6-chloro-1-oxoisoquinolin-2-yl)propanoic acid
CID 82063042
2-(4-aminobutyl)-6-butoxyisoquinolin-1-one
CID 82063089
2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
CID 93211333
2-[(4-fluorophenyl)methyl]isoquinolin-1-one
CID 9354445
(2R)-2-(6-fluoro-1-oxoisoquinolin-2-yl)propanoic acid
CID 93211301
3-(6-methyl-1-oxoisoquinolin-2-yl)propanenitrile
CID 82143580
6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
CID 171782169
3-[6-[carboxymethyl(methyl)amino]-1-oxoisoquinolin-2-yl]propanoic acid
CID 117099846
4-(6-bromo-1-oxoisoquinolin-2-yl)butanenitrile
CID 82152027
6-bromo-7-fluoro-2-(4-oxopentyl)isoquinolin-1-one
CID 169118545

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one?
The IUPAC name of 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one (CID 82063108) is 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one is NCCn1ccc2cc(F)ccc2c1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one?
The InChIKey is RGBQLOZCBWUUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-1-2-10-8(7-9)3-5-14(6-4-13)11(10)15/h1-3,5,7H,4,6,13H2.
What are the key properties of 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one?
2-(2-aminoethyl)-6-fluoroisoquinolin-1-one has a molecular weight of 206.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-fluoroisoquinolin-1-one is sourced from PubChem (CID 82063108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).