4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C17H17NO — CID 2942312

IUPAC4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESc1ccc(C2Nc3ccccc3C3OCCC23)cc1
InChIInChI=1S/C17H17NO/c1-2-6-12(7-3-1)16-14-10-11-19-17(14)13-8-4-5-9-15(13)18-16/h1-9,14,16-18H,10-11H2
InChIKeyLZVNOMSZAGXFQZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds1

About 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 2942312) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID2942312
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESc1ccc(C2Nc3ccccc3C3OCCC23)cc1
InChIInChI=1S/C17H17NO/c1-2-6-12(7-3-1)16-14-10-11-19-17(14)13-8-4-5-9-15(13)18-16/h1-9,14,16-18H,10-11H2
InChIKeyLZVNOMSZAGXFQZ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 2942312) is 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is c1ccc(C2Nc3ccccc3C3OCCC23)cc1.
What is the InChIKey of 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is LZVNOMSZAGXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-6-12(7-3-1)16-14-10-11-19-17(14)13-8-4-5-9-15(13)18-16/h1-9,14,16-18H,10-11H2.
What are the key properties of 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 251.33 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 2942312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).