5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one

C9H9FN2O — CID 69388423

IUPAC5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
SMILESNC1=CCC(F)c2[nH]c(=O)ccc21
InChIInChI=1S/C9H9FN2O/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1,3-4,6H,2,11H2,(H,12,13)
InChIKeyOHNWQHCMGJSQIQ-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.09
Rot. Bonds

About 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one

5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one (PubChem CID 69388423) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
PubChem CID69388423
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one
SMILESNC1=CCC(F)c2[nH]c(=O)ccc21
InChIInChI=1S/C9H9FN2O/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1,3-4,6H,2,11H2,(H,12,13)
InChIKeyOHNWQHCMGJSQIQ-UHFFFAOYSA-N
XLogP1.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,6,7,8-Hexahydroquinolin-2-one
CID 264106
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218162
6-(2-fluoropropan-2-yl)-1H-pyridin-2-one
CID 59928343
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407
(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one
CID 89207139
4-(2-Fluorocyclohexa-1,3-dien-1-yl)-5-methylidenepyrrol-2-one
CID 89336671
3-Fluoro-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 89388831
1-tert-butyl-6-fluoro-2H-isoquinolin-3-one
CID 90892190

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one (CID 69388423) is 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one is NC1=CCC(F)c2[nH]c(=O)ccc21.
What is the InChIKey of 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one?
The InChIKey is OHNWQHCMGJSQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-6-2-3-7(11)5-1-4-8(13)12-9(5)6/h1,3-4,6H,2,11H2,(H,12,13).
What are the key properties of 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one?
5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one has a molecular weight of 180.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-fluoro-7,8-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 69388423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).