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

C23H19FN4O2 — CID 165422322

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

(7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165422322) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 165422322
• Molecular Formula: C23H19FN4O2
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.15
• IUPAC Name: (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: Cc1cc(C(=O)N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)c2ccc(F)cc2n1
• InChI: InChI=1S/C23H19FN4O2/c1-13-7-18(17-6-5-15(24)9-20(17)27-13)23(30)28-10-19(14-3-2-4-16(29)8-14)22-21(11-28)25-12-26-22/h2-9,12,19,29H,10-11H2,1H3,(H,25,26)
• InChIKey: JFYAAYVAHOYDBK-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165422322) is (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1cc(C(=O)N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)c2ccc(F)cc2n1.

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

The InChIKey is JFYAAYVAHOYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-13-7-18(17-6-5-15(24)9-20(17)27-13)23(30)28-10-19(14-3-2-4-16(29)8-14)22-21(11-28)25-12-26-22/h2-9,12,19,29H,10-11H2,1H3,(H,25,26).

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

(7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 402.43 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165422322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).