6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one

C18H19FN2O3 — CID 163317576

IUPAC6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccc(F)cc2c1=O)N1[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C18H19FN2O3/c19-10-4-5-16-14(6-10)17(23)15(9-20-16)18(24)21-11-2-1-3-12(21)8-13(22)7-11/h4-6,9,11-13,22H,1-3,7-8H2,(H,20,23)/t11-,12+,13?
InChIKeyQMOQGRNTAALQNO-FUNVUKJBSA-N
MW330.36 g/mol
LogP2.19
Rot. Bonds1

About 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one

6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one (PubChem CID 163317576) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one
PubChem CID163317576
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccc(F)cc2c1=O)N1[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C18H19FN2O3/c19-10-4-5-16-14(6-10)17(23)15(9-20-16)18(24)21-11-2-1-3-12(21)8-13(22)7-11/h4-6,9,11-13,22H,1-3,7-8H2,(H,20,23)/t11-,12+,13?
InChIKeyQMOQGRNTAALQNO-FUNVUKJBSA-N
XLogP2.19
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
(2S,4R)-4-(dimethylamino)-1-(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 118764702
3-[(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-6-fluoro-1H-quinolin-4-one
CID 124939093
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-fluoro-1H-indole-3-carboxylate
CID 14578818
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one
CID 63763273
6-fluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 74232291

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one (CID 163317576) is 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one is O=C(c1c[nH]c2ccc(F)cc2c1=O)N1[C@@H]2CCC[C@H]1CC(O)C2.
What is the InChIKey of 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one?
The InChIKey is QMOQGRNTAALQNO-FUNVUKJBSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-10-4-5-16-14(6-10)17(23)15(9-20-16)18(24)21-11-2-1-3-12(21)8-13(22)7-11/h4-6,9,11-13,22H,1-3,7-8H2,(H,20,23)/t11-,12+,13?.
What are the key properties of 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one?
6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one has a molecular weight of 330.36 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 163317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).