7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline

C26H20N4O2 — CID 10093589

IUPAC7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
SMILESCOc1ccnc(CCc2nc3nc4ccc(-c5cc6ccccc6o5)cc4cc3[nH]2)c1
InChIInChI=1S/C26H20N4O2/c1-31-20-10-11-27-19(15-20)7-9-25-28-22-13-18-12-17(6-8-21(18)29-26(22)30-25)24-14-16-4-2-3-5-23(16)32-24/h2-6,8,10-15H,7,9H2,1H3,(H,28,29,30)
InChIKeyXBUIMXVGLMTFGZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.71
Rot. Bonds5

About 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline

7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline (PubChem CID 10093589) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
PubChem CID10093589
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline
SMILESCOc1ccnc(CCc2nc3nc4ccc(-c5cc6ccccc6o5)cc4cc3[nH]2)c1
InChIInChI=1S/C26H20N4O2/c1-31-20-10-11-27-19(15-20)7-9-25-28-22-13-18-12-17(6-8-21(18)29-26(22)30-25)24-14-16-4-2-3-5-23(16)32-24/h2-6,8,10-15H,7,9H2,1H3,(H,28,29,30)
InChIKeyXBUIMXVGLMTFGZ-UHFFFAOYSA-N
XLogP5.71
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-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 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
The IUPAC name of 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline (CID 10093589) is 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
The canonical SMILES for 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline is COc1ccnc(CCc2nc3nc4ccc(-c5cc6ccccc6o5)cc4cc3[nH]2)c1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
The InChIKey is XBUIMXVGLMTFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-31-20-10-11-27-19(15-20)7-9-25-28-22-13-18-12-17(6-8-21(18)29-26(22)30-25)24-14-16-4-2-3-5-23(16)32-24/h2-6,8,10-15H,7,9H2,1H3,(H,28,29,30).
What are the key properties of 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline?
7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline has a molecular weight of 420.47 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]quinoline is sourced from PubChem (CID 10093589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).