4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C16H17NO3 — CID 2942910

IUPAC4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)C1OCCC1C(c1ccco1)N2
InChIInChI=1S/C16H17NO3/c1-18-10-4-5-13-12(9-10)16-11(6-8-20-16)15(17-13)14-3-2-7-19-14/h2-5,7,9,11,15-17H,6,8H2,1H3
InChIKeyZAYPLRCYKMEKKL-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.53
Rot. Bonds2

About 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 2942910) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID2942910
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)C1OCCC1C(c1ccco1)N2
InChIInChI=1S/C16H17NO3/c1-18-10-4-5-13-12(9-10)16-11(6-8-20-16)15(17-13)14-3-2-7-19-14/h2-5,7,9,11,15-17H,6,8H2,1H3
InChIKeyZAYPLRCYKMEKKL-UHFFFAOYSA-N
XLogP3.53
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-[8-chloro-4-(furan-2-yl)-2,3,3a,9b-tetrahydrofuro[3,2-c]quinolin-5(4H)-yl]ethanone
CID 4300623
8-Chloro-4-furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 648369
4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 3154540
8-Fluoro-4-(2-furyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 664607
(3aS,4S,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 1085710
(2S,4R)-2-(furan-2-yl)-7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712892
(2S,4R)-2-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712893
2-(Furan-2-yl)-2,3-dihydroquinolin-4(1h)-one
CID 10867616
4-Furan-2-yl-8-methyl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 2943614
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18277661
(9R,11S)-11-(furan-2-yl)-5-(trifluoromethoxy)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712870
(9R,11S)-11-(5-methylfuran-2-yl)-5-(trifluoromethoxy)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712871

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 2942910) is 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is COc1ccc2c(c1)C1OCCC1C(c1ccco1)N2.
What is the InChIKey of 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is ZAYPLRCYKMEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-18-10-4-5-13-12(9-10)16-11(6-8-20-16)15(17-13)14-3-2-7-19-14/h2-5,7,9,11,15-17H,6,8H2,1H3.
What are the key properties of 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 271.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 2942910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).