[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone

C23H21FN2O — CID 98066976

IUPAC[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C23H21FN2O/c24-17-8-6-15(7-9-17)16-13-18-10-11-19(14-16)26(18)23(27)21-3-1-5-22-20(21)4-2-12-25-22/h1-9,12,16,18-19H,10-11,13-14H2/t18-,19-/m1/s1
InChIKeyVGVUOMMBJMRKBJ-RTBURBONSA-N
MW360.43 g/mol
LogP4.92
Rot. Bonds2

About [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone

[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone (PubChem CID 98066976) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
PubChem CID98066976
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C23H21FN2O/c24-17-8-6-15(7-9-17)16-13-18-10-11-19(14-16)26(18)23(27)21-3-1-5-22-20(21)4-2-12-25-22/h1-9,12,16,18-19H,10-11,13-14H2/t18-,19-/m1/s1
InChIKeyVGVUOMMBJMRKBJ-RTBURBONSA-N
XLogP4.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
CID 16674981
3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one
CID 16674918
(3,5-difluorophenyl)-[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98066971
3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
CID 98067126
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-methylsulfanylphenyl)methanone
CID 143948110
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 98067092
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-5-ylmethanone
CID 104615703
[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 45273886
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996834
[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 46179590
[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 98067004

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone (CID 98066976) is [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone?
The InChIKey is VGVUOMMBJMRKBJ-RTBURBONSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-17-8-6-15(7-9-17)16-13-18-10-11-19(14-16)26(18)23(27)21-3-1-5-22-20(21)4-2-12-25-22/h1-9,12,16,18-19H,10-11,13-14H2/t18-,19-/m1/s1.
What are the key properties of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone?
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone has a molecular weight of 360.43 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 98066976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).