[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone

C21H18FN3O — CID 155909759

IUPAC[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1-c1cnc2cc(F)ccc2c1)N1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C21H18FN3O/c22-16-5-4-14-9-15(11-24-19(14)10-16)20-18(2-1-7-23-20)21(26)25-12-13-3-6-17(25)8-13/h1-2,4-5,7,9-11,13,17H,3,6,8,12H2/t13-,17+/m0/s1
InChIKeyOJMYLSKCAOCVRV-SUMWQHHRSA-N
MW347.39 g/mol
LogP4.06
Rot. Bonds2

About [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone

[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone (PubChem CID 155909759) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone
PubChem CID155909759
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1-c1cnc2cc(F)ccc2c1)N1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C21H18FN3O/c22-16-5-4-14-9-15(11-24-19(14)10-16)20-18(2-1-7-23-20)21(26)25-12-13-3-6-17(25)8-13/h1-2,4-5,7,9-11,13,17H,3,6,8,12H2/t13-,17+/m0/s1
InChIKeyOJMYLSKCAOCVRV-SUMWQHHRSA-N
XLogP4.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone?
The IUPAC name of [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone (CID 155909759) is [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone?
The canonical SMILES for [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone is O=C(c1cccnc1-c1cnc2cc(F)ccc2c1)N1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone?
The InChIKey is OJMYLSKCAOCVRV-SUMWQHHRSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-16-5-4-14-9-15(11-24-19(14)10-16)20-18(2-1-7-23-20)21(26)25-12-13-3-6-17(25)8-13/h1-2,4-5,7,9-11,13,17H,3,6,8,12H2/t13-,17+/m0/s1.
What are the key properties of [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone?
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone has a molecular weight of 347.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(7-fluoroquinolin-3-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 155909759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).