5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol

C22H16ClFN4O2 — CID 171527226

About 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol

5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol (PubChem CID 171527226) has the molecular formula C22H16ClFN4O2 and a molecular weight of 422.85 g/mol. Its IUPAC name is 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol.

Molecular Properties

• Compound Name: 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol
• PubChem CID: 171527226
• Molecular Formula: C22H16ClFN4O2
• Molecular Weight: 422.85 g/mol
• Exact Mass: 422.09
• IUPAC Name: 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol
• SMILES: COc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1O
• InChI: InChI=1S/C22H16ClFN4O2/c1-30-22-20(29)8-14(10-25-22)12-2-3-18-15(6-12)21(27-11-26-18)28-5-4-13-7-17(24)16(23)9-19(13)28/h2-3,6-11,29H,4-5H2,1H3
• InChIKey: CUAIBXVWQXSXDG-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 71.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.85
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol?

The IUPAC name of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol (CID 171527226) is 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol.

What is the SMILES notation for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol?

The canonical SMILES for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol is COc1ncc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3c2)cc1O.

What is the InChIKey of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol?

The InChIKey is CUAIBXVWQXSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O2/c1-30-22-20(29)8-14(10-25-22)12-2-3-18-15(6-12)21(27-11-26-18)28-5-4-13-7-17(24)16(23)9-19(13)28/h2-3,6-11,29H,4-5H2,1H3.

What are the key properties of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol?

5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol has a molecular weight of 422.85 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-2-methoxypyridin-3-ol is sourced from PubChem (CID 171527226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).