[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone

C23H26FN3O2 — CID 155391489

IUPAC[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(N1CC[C@@]2(CNCCO2)C1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c24-19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-12-27(21)22(28)26-13-10-23(16-26)15-25-11-14-29-23/h1-8,21,25H,9-16H2/t21-,23-/m1/s1
InChIKeyDAUJRWROTGPDGM-FYYLOGMGSA-N
MW395.48 g/mol
LogP2.96
Rot. Bonds1

About [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone

[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 155391489) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID155391489
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(N1CC[C@@]2(CNCCO2)C1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c24-19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-12-27(21)22(28)26-13-10-23(16-26)15-25-11-14-29-23/h1-8,21,25H,9-16H2/t21-,23-/m1/s1
InChIKeyDAUJRWROTGPDGM-FYYLOGMGSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 155391489) is [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(N1CC[C@@]2(CNCCO2)C1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is DAUJRWROTGPDGM-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-12-27(21)22(28)26-13-10-23(16-26)15-25-11-14-29-23/h1-8,21,25H,9-16H2/t21-,23-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone?
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 395.48 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 155391489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).