4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C15H15NO2 — CID 3154540

IUPAC4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESc1coc(C2Nc3ccccc3C3OCCC23)c1
InChIInChI=1S/C15H15NO2/c1-2-5-12-10(4-1)15-11(7-9-18-15)14(16-12)13-6-3-8-17-13/h1-6,8,11,14-16H,7,9H2
InChIKeyZQRYWYRQXPVNFH-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.52
Rot. Bonds1

About 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 3154540) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID3154540
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESc1coc(C2Nc3ccccc3C3OCCC23)c1
InChIInChI=1S/C15H15NO2/c1-2-5-12-10(4-1)15-11(7-9-18-15)14(16-12)13-6-3-8-17-13/h1-6,8,11,14-16H,7,9H2
InChIKeyZQRYWYRQXPVNFH-UHFFFAOYSA-N
XLogP3.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 3154540) is 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is c1coc(C2Nc3ccccc3C3OCCC23)c1.
What is the InChIKey of 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is ZQRYWYRQXPVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-5-12-10(4-1)15-11(7-9-18-15)14(16-12)13-6-3-8-17-13/h1-6,8,11,14-16H,7,9H2.
What are the key properties of 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 241.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 3154540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).