(3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C18H19NO — CID 46367420

IUPAC(3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCc1ccc2c(c1)[C@H]1OCC[C@H]1C(c1ccccc1)N2
InChIInChI=1S/C18H19NO/c1-12-7-8-16-15(11-12)18-14(9-10-20-18)17(19-16)13-5-3-2-4-6-13/h2-8,11,14,17-19H,9-10H2,1H3/t14-,17?,18-/m0/s1
InChIKeyUNMNWKGQNLOJGL-HRWMIKOJSA-N
MW265.36 g/mol
LogP4.24
Rot. Bonds1

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

(3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 46367420) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID46367420
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCc1ccc2c(c1)[C@H]1OCC[C@H]1C(c1ccccc1)N2
InChIInChI=1S/C18H19NO/c1-12-7-8-16-15(11-12)18-14(9-10-20-18)17(19-16)13-5-3-2-4-6-13/h2-8,11,14,17-19H,9-10H2,1H3/t14-,17?,18-/m0/s1
InChIKeyUNMNWKGQNLOJGL-HRWMIKOJSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 46367420) is (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is Cc1ccc2c(c1)[C@H]1OCC[C@H]1C(c1ccccc1)N2.
What is the InChIKey of (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is UNMNWKGQNLOJGL-HRWMIKOJSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-7-8-16-15(11-12)18-14(9-10-20-18)17(19-16)13-5-3-2-4-6-13/h2-8,11,14,17-19H,9-10H2,1H3/t14-,17?,18-/m0/s1.
What are the key properties of (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 265.36 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-8-methyl-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 46367420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).