N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine

C22H16N2O2 — CID 45112230

IUPACN-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine
SMILESCOc1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C22H16N2O2/c1-25-15-12-10-14(11-13-15)23-21-16-6-2-4-8-18(16)24-22-20(21)17-7-3-5-9-19(17)26-22/h2-13H,1H3,(H,23,24)
InChIKeyXYZUPXKUQYALDS-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.89
Rot. Bonds3

About N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine

N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine (PubChem CID 45112230) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine
PubChem CID45112230
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine
SMILESCOc1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C22H16N2O2/c1-25-15-12-10-14(11-13-15)23-21-16-6-2-4-8-18(16)24-22-20(21)17-7-3-5-9-19(17)26-22/h2-13H,1H3,(H,23,24)
InChIKeyXYZUPXKUQYALDS-UHFFFAOYSA-N
XLogP5.89
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine 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 N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine?
The IUPAC name of N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine (CID 45112230) is N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine?
The canonical SMILES for N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine is COc1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine?
The InChIKey is XYZUPXKUQYALDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-25-15-12-10-14(11-13-15)23-21-16-6-2-4-8-18(16)24-22-20(21)17-7-3-5-9-19(17)26-22/h2-13H,1H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine?
N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine has a molecular weight of 340.38 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-[1]benzofuro[2,3-b]quinolin-11-amine is sourced from PubChem (CID 45112230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).