4-amino-7-fluoro-2H-isoquinolin-1-one

C9H7FN2O — CID 84656321

IUPAC4-amino-7-fluoro-2H-isoquinolin-1-one
SMILESNc1c[nH]c(=O)c2cc(F)ccc12
InChIInChI=1S/C9H7FN2O/c10-5-1-2-6-7(3-5)9(13)12-4-8(6)11/h1-4H,11H2,(H,12,13)
InChIKeyGGGJONVXDBXTNB-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.25
Rot. Bonds

About 4-amino-7-fluoro-2H-isoquinolin-1-one

4-amino-7-fluoro-2H-isoquinolin-1-one (PubChem CID 84656321) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-amino-7-fluoro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-amino-7-fluoro-2H-isoquinolin-1-one
PubChem CID84656321
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name4-amino-7-fluoro-2H-isoquinolin-1-one
SMILESNc1c[nH]c(=O)c2cc(F)ccc12
InChIInChI=1S/C9H7FN2O/c10-5-1-2-6-7(3-5)9(13)12-4-8(6)11/h1-4H,11H2,(H,12,13)
InChIKeyGGGJONVXDBXTNB-UHFFFAOYSA-N
XLogP1.25
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-7-methyl-2H-isoquinolin-1-one
CID 84654886
6-fluoro-4-methoxy-2H-isoquinolin-1-one
CID 86683190
4,7-difluoronaphthalen-1-amine
CID 115015314
3-amino-5-fluoro-1H-pyridin-2-one;ethanol
CID 158251621
5-amino-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 82282728
1,6-difluoronaphthalen-2-amine
CID 115015312
7-amino-4-tert-butyl-2H-isoquinolin-1-one
CID 115063559
2-amino-7-fluoro-3H-quinazolin-4-one;vanadium
CID 160605565
3-amino-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 53412537
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-2H-isoquinolin-1-one?
The IUPAC name of 4-amino-7-fluoro-2H-isoquinolin-1-one (CID 84656321) is 4-amino-7-fluoro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-amino-7-fluoro-2H-isoquinolin-1-one?
The canonical SMILES for 4-amino-7-fluoro-2H-isoquinolin-1-one is Nc1c[nH]c(=O)c2cc(F)ccc12.
What is the InChIKey of 4-amino-7-fluoro-2H-isoquinolin-1-one?
The InChIKey is GGGJONVXDBXTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-5-1-2-6-7(3-5)9(13)12-4-8(6)11/h1-4H,11H2,(H,12,13).
What are the key properties of 4-amino-7-fluoro-2H-isoquinolin-1-one?
4-amino-7-fluoro-2H-isoquinolin-1-one has a molecular weight of 178.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-2H-isoquinolin-1-one is sourced from PubChem (CID 84656321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).