5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C18H18F3NO2 — CID 58956742

IUPAC5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1ccc(C2Nc3ccc(C(F)(F)F)cc3C3OCCCC23)o1
InChIInChI=1S/C18H18F3NO2/c1-10-4-7-15(24-10)16-12-3-2-8-23-17(12)13-9-11(18(19,20)21)5-6-14(13)22-16/h4-7,9,12,16-17,22H,2-3,8H2,1H3
InChIKeyZUEYOCILEUYVOS-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.24
Rot. Bonds1

About 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 58956742) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID58956742
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1ccc(C2Nc3ccc(C(F)(F)F)cc3C3OCCCC23)o1
InChIInChI=1S/C18H18F3NO2/c1-10-4-7-15(24-10)16-12-3-2-8-23-17(12)13-9-11(18(19,20)21)5-6-14(13)22-16/h4-7,9,12,16-17,22H,2-3,8H2,1H3
InChIKeyZUEYOCILEUYVOS-UHFFFAOYSA-N
XLogP5.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 58956742) is 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is Cc1ccc(C2Nc3ccc(C(F)(F)F)cc3C3OCCCC23)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is ZUEYOCILEUYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-10-4-7-15(24-10)16-12-3-2-8-23-17(12)13-9-11(18(19,20)21)5-6-14(13)22-16/h4-7,9,12,16-17,22H,2-3,8H2,1H3.
What are the key properties of 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 337.34 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 58956742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).