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

C16H17NO3 — CID 1314121

IUPAC(3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](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/t11-,15+,16-/m0/s1
InChIKeyZAYPLRCYKMEKKL-XZJROXQQSA-N
MW271.32 g/mol
LogP3.53
Rot. Bonds2

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

(3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 1314121) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID1314121
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](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/t11-,15+,16-/m0/s1
InChIKeyZAYPLRCYKMEKKL-XZJROXQQSA-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 (3aS,4R,9bS)-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

(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 99134947
(3aS,4S,9bR)-8-methoxy-4-(2,3,4,5,6-pentafluorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 102170286
(3aR,4S,9bS)-8-fluoro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11882174
(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 6949464
8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 648369
(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11543938
4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 3154540
(3aR,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 101231058
4-[(4aS,5R,10bS)-9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzoic acid
CID 26367250
(4aS,5S,10bS)-5-(4-methoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 27261685
(4S)-9-methoxy-4-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 101137503
(4aS,5S,10bS)-9-chloro-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 92878413

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 1314121) is (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is COc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2.
What is the InChIKey of (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is ZAYPLRCYKMEKKL-XZJROXQQSA-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/t11-,15+,16-/m0/s1.
What are the key properties of (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,4R,9bS)-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 (3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 1314121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).