ethane;6-propan-2-ylfuro[2,3-f]isoquinoline

C16H19NO — CID 143166928

IUPACethane;6-propan-2-ylfuro[2,3-f]isoquinoline
SMILESCC.CC(C)c1nccc2c1ccc1ccoc12
InChIInChI=1S/C14H13NO.C2H6/c1-9(2)13-11-4-3-10-6-8-16-14(10)12(11)5-7-15-13;1-2/h3-9H,1-2H3;1-2H3
InChIKeyMBGWCKLVMFNTFX-UHFFFAOYSA-N
MW241.33 g/mol
LogP5.13
Rot. Bonds1

About ethane;6-propan-2-ylfuro[2,3-f]isoquinoline

ethane;6-propan-2-ylfuro[2,3-f]isoquinoline (PubChem CID 143166928) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is ethane;6-propan-2-ylfuro[2,3-f]isoquinoline.

Molecular Properties

Compound Nameethane;6-propan-2-ylfuro[2,3-f]isoquinoline
PubChem CID143166928
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Nameethane;6-propan-2-ylfuro[2,3-f]isoquinoline
SMILESCC.CC(C)c1nccc2c1ccc1ccoc12
InChIInChI=1S/C14H13NO.C2H6/c1-9(2)13-11-4-3-10-6-8-16-14(10)12(11)5-7-15-13;1-2/h3-9H,1-2H3;1-2H3
InChIKeyMBGWCKLVMFNTFX-UHFFFAOYSA-N
XLogP5.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.33
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;6-propan-2-ylfuro[2,3-f]isoquinoline 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 ethane;6-propan-2-ylfuro[2,3-f]isoquinoline?
The IUPAC name of ethane;6-propan-2-ylfuro[2,3-f]isoquinoline (CID 143166928) is ethane;6-propan-2-ylfuro[2,3-f]isoquinoline.
What is the SMILES notation for ethane;6-propan-2-ylfuro[2,3-f]isoquinoline?
The canonical SMILES for ethane;6-propan-2-ylfuro[2,3-f]isoquinoline is CC.CC(C)c1nccc2c1ccc1ccoc12.
What is the InChIKey of ethane;6-propan-2-ylfuro[2,3-f]isoquinoline?
The InChIKey is MBGWCKLVMFNTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C2H6/c1-9(2)13-11-4-3-10-6-8-16-14(10)12(11)5-7-15-13;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;6-propan-2-ylfuro[2,3-f]isoquinoline?
ethane;6-propan-2-ylfuro[2,3-f]isoquinoline has a molecular weight of 241.33 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propan-2-ylfuro[2,3-f]isoquinoline is sourced from PubChem (CID 143166928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).