[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone

C23H20N4O3 — CID 165419465

About [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone

[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone (PubChem CID 165419465) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone.

Molecular Properties

• Compound Name: [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
• PubChem CID: 165419465
• Molecular Formula: C23H20N4O3
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.15
• IUPAC Name: [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
• SMILES: COc1cc(C(=O)N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)c2ccccc2n1
• InChI: InChI=1S/C23H20N4O3/c1-30-21-10-17(16-7-2-3-8-19(16)26-21)23(29)27-11-18(14-5-4-6-15(28)9-14)22-20(12-27)24-13-25-22/h2-10,13,18,28H,11-12H2,1H3,(H,24,25)
• InChIKey: FVIWIKUUPASTSU-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 91.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone?

The IUPAC name of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone (CID 165419465) is [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone.

What is the SMILES notation for [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone?

The canonical SMILES for [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone is COc1cc(C(=O)N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)c2ccccc2n1.

What is the InChIKey of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone?

The InChIKey is FVIWIKUUPASTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-21-10-17(16-7-2-3-8-19(16)26-21)23(29)27-11-18(14-5-4-6-15(28)9-14)22-20(12-27)24-13-25-22/h2-10,13,18,28H,11-12H2,1H3,(H,24,25).

What are the key properties of [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone?

[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone has a molecular weight of 400.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 165419465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).