(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C18H19NO2 — CID 99134947

IUPAC(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccccc1)N2
InChIInChI=1S/C18H19NO2/c1-20-13-7-8-16-15(11-13)18-14(9-10-21-18)17(19-16)12-5-3-2-4-6-12/h2-8,11,14,17-19H,9-10H2,1H3/t14-,17-,18-/m1/s1
InChIKeyNWWOTCODERDUTN-ZTFGCOKTSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds2

About (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 99134947) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID99134947
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCOc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccccc1)N2
InChIInChI=1S/C18H19NO2/c1-20-13-7-8-16-15(11-13)18-14(9-10-21-18)17(19-16)12-5-3-2-4-6-12/h2-8,11,14,17-19H,9-10H2,1H3/t14-,17-,18-/m1/s1
InChIKeyNWWOTCODERDUTN-ZTFGCOKTSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline with MolForge

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Related Compounds

(3aS,4R,9bS)-4-(4-fluorophenyl)-8-methoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11543938
(3aR,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 101231058
(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
(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
(3aS,4R,9bS)-8-bromo-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11858814
(3aS,4R,9bS)-8-chloro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 10541164
(4S)-9-methoxy-4-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 101137503
(3aR,4R,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11870146
(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

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 99134947) is (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccccc1)N2.
What is the InChIKey of (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is NWWOTCODERDUTN-ZTFGCOKTSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-13-7-8-16-15(11-13)18-14(9-10-21-18)17(19-16)12-5-3-2-4-6-12/h2-8,11,14,17-19H,9-10H2,1H3/t14-,17-,18-/m1/s1.
What are the key properties of (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 281.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 99134947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).