2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol

C22H17NO2 — CID 70829328

IUPAC2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol
SMILESCc1ccc(N2c3ccccc3Cc3c2oc2ccccc32)c(O)c1
InChIInChI=1S/C22H17NO2/c1-14-10-11-19(20(24)12-14)23-18-8-4-2-6-15(18)13-17-16-7-3-5-9-21(16)25-22(17)23/h2-12,24H,13H2,1H3
InChIKeyCWVXRJBFHZZBES-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.82
Rot. Bonds1

About 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol

2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol (PubChem CID 70829328) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol
PubChem CID70829328
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol
SMILESCc1ccc(N2c3ccccc3Cc3c2oc2ccccc32)c(O)c1
InChIInChI=1S/C22H17NO2/c1-14-10-11-19(20(24)12-14)23-18-8-4-2-6-15(18)13-17-16-7-3-5-9-21(16)25-22(17)23/h2-12,24H,13H2,1H3
InChIKeyCWVXRJBFHZZBES-UHFFFAOYSA-N
XLogP5.82
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol 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 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol?
The IUPAC name of 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol (CID 70829328) is 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol.
What is the SMILES notation for 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol?
The canonical SMILES for 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol is Cc1ccc(N2c3ccccc3Cc3c2oc2ccccc32)c(O)c1.
What is the InChIKey of 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol?
The InChIKey is CWVXRJBFHZZBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-10-11-19(20(24)12-14)23-18-8-4-2-6-15(18)13-17-16-7-3-5-9-21(16)25-22(17)23/h2-12,24H,13H2,1H3.
What are the key properties of 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol?
2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol has a molecular weight of 327.38 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11H-[1]benzofuro[2,3-b]quinolin-6-yl)-5-methylphenol is sourced from PubChem (CID 70829328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).