9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline

C18H15NO — CID 173200392

IUPAC9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline
SMILESC1=CC2=C(Cc3ccccc3)C3=COCC3=NC2C=C1
InChIInChI=1S/C18H15NO/c1-2-6-13(7-3-1)10-15-14-8-4-5-9-17(14)19-18-12-20-11-16(15)18/h1-9,11,17H,10,12H2
InChIKeyFGWAWTZYAYPWNZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.39
Rot. Bonds2

About 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline

9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline (PubChem CID 173200392) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline.

Molecular Properties

Compound Name9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline
PubChem CID173200392
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline
SMILESC1=CC2=C(Cc3ccccc3)C3=COCC3=NC2C=C1
InChIInChI=1S/C18H15NO/c1-2-6-13(7-3-1)10-15-14-8-4-5-9-17(14)19-18-12-20-11-16(15)18/h1-9,11,17H,10,12H2
InChIKeyFGWAWTZYAYPWNZ-UHFFFAOYSA-N
XLogP3.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline?
The IUPAC name of 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline (CID 173200392) is 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline.
What is the SMILES notation for 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline?
The canonical SMILES for 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline is C1=CC2=C(Cc3ccccc3)C3=COCC3=NC2C=C1.
What is the InChIKey of 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline?
The InChIKey is FGWAWTZYAYPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-2-6-13(7-3-1)10-15-14-8-4-5-9-17(14)19-18-12-20-11-16(15)18/h1-9,11,17H,10,12H2.
What are the key properties of 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline?
9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline has a molecular weight of 261.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3,4a-dihydrofuro[3,4-b]quinoline is sourced from PubChem (CID 173200392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).