10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine

C21H19NO3 — CID 59572595

IUPAC10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2C=Cc2ccoc21
InChIInChI=1S/C21H19NO3/c1-14-12-18(23-2)20(19(13-14)24-3)22-17-7-5-4-6-15(17)8-9-16-10-11-25-21(16)22/h4-13H,1-3H3
InChIKeyUVRVCCPDSQZKGB-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.56
Rot. Bonds3

About 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine

10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine (PubChem CID 59572595) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine.

Molecular Properties

Compound Name10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine
PubChem CID59572595
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine
SMILESCOc1cc(C)cc(OC)c1N1c2ccccc2C=Cc2ccoc21
InChIInChI=1S/C21H19NO3/c1-14-12-18(23-2)20(19(13-14)24-3)22-17-7-5-4-6-15(17)8-9-16-10-11-25-21(16)22/h4-13H,1-3H3
InChIKeyUVRVCCPDSQZKGB-UHFFFAOYSA-N
XLogP5.56
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine 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 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine?
The IUPAC name of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine (CID 59572595) is 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine.
What is the SMILES notation for 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine?
The canonical SMILES for 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine is COc1cc(C)cc(OC)c1N1c2ccccc2C=Cc2ccoc21.
What is the InChIKey of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine?
The InChIKey is UVRVCCPDSQZKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-12-18(23-2)20(19(13-14)24-3)22-17-7-5-4-6-15(17)8-9-16-10-11-25-21(16)22/h4-13H,1-3H3.
What are the key properties of 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine?
10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine has a molecular weight of 333.39 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-dimethoxy-4-methylphenyl)furo[2,3-b][1]benzazepine is sourced from PubChem (CID 59572595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).