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

C18H18FNO2 — CID 11543938

IUPAC(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(F)cc1)N2
InChIInChI=1S/C18H18FNO2/c1-21-13-6-7-16-15(10-13)18-14(8-9-22-18)17(20-16)11-2-4-12(19)5-3-11/h2-7,10,14,17-18,20H,8-9H2,1H3/t14-,17-,18-/m0/s1
InChIKeyAEYJBZVCFPQPKZ-WBAXXEDZSA-N
MW299.35 g/mol
LogP4.08
Rot. Bonds2

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

(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 11543938) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID11543938
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(F)cc1)N2
InChIInChI=1S/C18H18FNO2/c1-21-13-6-7-16-15(10-13)18-14(8-9-22-18)17(20-16)11-2-4-12(19)5-3-11/h2-7,10,14,17-18,20H,8-9H2,1H3/t14-,17-,18-/m0/s1
InChIKeyAEYJBZVCFPQPKZ-WBAXXEDZSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 101231058
(3aS,4R,9bS)-4-(furan-2-yl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 1314121
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
(4aS,5S,10bS)-9-chloro-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 92878413
(4aS,5R,10bS)-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11369917
(4aR,5S,10bR)-9-tert-butyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11772150
(3aS,9bS)-8-bromo-4-(4-ethoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 50813456
8-tert-butyl-4-(2,5-difluorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 143069918
(4aR,5R,10bR)-9-ethyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 51689850

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 11543938) is (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is COc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(F)cc1)N2.
What is the InChIKey of (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is AEYJBZVCFPQPKZ-WBAXXEDZSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-21-13-6-7-16-15(10-13)18-14(8-9-22-18)17(20-16)11-2-4-12(19)5-3-11/h2-7,10,14,17-18,20H,8-9H2,1H3/t14-,17-,18-/m0/s1.
What are the key properties of (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 299.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 11543938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).