(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C28H24FNO — CID 102588333

IUPAC(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESFc1ccc([C@H]2Nc3ccc(-c4cccc5ccccc45)cc3[C@H]3OCCC[C@@H]23)cc1
InChIInChI=1S/C28H24FNO/c29-21-13-10-19(11-14-21)27-24-9-4-16-31-28(24)25-17-20(12-15-26(25)30-27)23-8-3-6-18-5-1-2-7-22(18)23/h1-3,5-8,10-15,17,24,27-28,30H,4,9,16H2/t24-,27+,28-/m0/s1
InChIKeyMUSBQQRBVKYFMG-VCTRFXNDSA-N
MW409.50 g/mol
LogP7.28
Rot. Bonds2

About (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 102588333) has the molecular formula C28H24FNO and a molecular weight of 409.50 g/mol. Its IUPAC name is (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID102588333
Molecular FormulaC28H24FNO
Molecular Weight409.50 g/mol
Exact Mass409.18
IUPAC Name(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESFc1ccc([C@H]2Nc3ccc(-c4cccc5ccccc45)cc3[C@H]3OCCC[C@@H]23)cc1
InChIInChI=1S/C28H24FNO/c29-21-13-10-19(11-14-21)27-24-9-4-16-31-28(24)25-17-20(12-15-26(25)30-27)23-8-3-6-18-5-1-2-7-22(18)23/h1-3,5-8,10-15,17,24,27-28,30H,4,9,16H2/t24-,27+,28-/m0/s1
InChIKeyMUSBQQRBVKYFMG-VCTRFXNDSA-N
XLogP7.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 102588333) is (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is Fc1ccc([C@H]2Nc3ccc(-c4cccc5ccccc45)cc3[C@H]3OCCC[C@@H]23)cc1.
What is the InChIKey of (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is MUSBQQRBVKYFMG-VCTRFXNDSA-N. The full InChI is InChI=1S/C28H24FNO/c29-21-13-10-19(11-14-21)27-24-9-4-16-31-28(24)25-17-20(12-15-26(25)30-27)23-8-3-6-18-5-1-2-7-22(18)23/h1-3,5-8,10-15,17,24,27-28,30H,4,9,16H2/t24-,27+,28-/m0/s1.
What are the key properties of (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 409.50 g/mol, XLogP of 7.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 102588333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).