8-amino-6-fluoro-4H-isoquinoline-1,3-dione

C9H7FN2O2 — CID 164939912

IUPAC8-amino-6-fluoro-4H-isoquinoline-1,3-dione
SMILESNc1cc(F)cc2c1C(=O)NC(=O)C2
InChIInChI=1S/C9H7FN2O2/c10-5-1-4-2-7(13)12-9(14)8(4)6(11)3-5/h1,3H,2,11H2,(H,12,13,14)
InChIKeyMEGOHRJRTDAHJQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.22
Rot. Bonds

About 8-amino-6-fluoro-4H-isoquinoline-1,3-dione

8-amino-6-fluoro-4H-isoquinoline-1,3-dione (PubChem CID 164939912) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 8-amino-6-fluoro-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name8-amino-6-fluoro-4H-isoquinoline-1,3-dione
PubChem CID164939912
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name8-amino-6-fluoro-4H-isoquinoline-1,3-dione
SMILESNc1cc(F)cc2c1C(=O)NC(=O)C2
InChIInChI=1S/C9H7FN2O2/c10-5-1-4-2-7(13)12-9(14)8(4)6(11)3-5/h1,3H,2,11H2,(H,12,13,14)
InChIKeyMEGOHRJRTDAHJQ-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
6-amino-5-fluoro-1,3-dihydroindol-2-one
CID 10103504
7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one
CID 117337397
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one
CID 117376008
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
6-bromo-7-fluoro-4H-isoquinoline-1,3-dione
CID 167531464
5-amino-6-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 69465743
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
8-chloro-4H-isoquinoline-1,3-dione
CID 125180476
5,7-difluoro-3H-indene-1,2-dione
CID 68850556

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-fluoro-4H-isoquinoline-1,3-dione?
The IUPAC name of 8-amino-6-fluoro-4H-isoquinoline-1,3-dione (CID 164939912) is 8-amino-6-fluoro-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 8-amino-6-fluoro-4H-isoquinoline-1,3-dione?
The canonical SMILES for 8-amino-6-fluoro-4H-isoquinoline-1,3-dione is Nc1cc(F)cc2c1C(=O)NC(=O)C2.
What is the InChIKey of 8-amino-6-fluoro-4H-isoquinoline-1,3-dione?
The InChIKey is MEGOHRJRTDAHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-5-1-4-2-7(13)12-9(14)8(4)6(11)3-5/h1,3H,2,11H2,(H,12,13,14).
What are the key properties of 8-amino-6-fluoro-4H-isoquinoline-1,3-dione?
8-amino-6-fluoro-4H-isoquinoline-1,3-dione has a molecular weight of 194.16 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-fluoro-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 164939912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).