3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

C23H24FN5O2 — CID 19020631

About 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione (PubChem CID 19020631) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
• PubChem CID: 19020631
• Molecular Formula: C23H24FN5O2
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.19
• IUPAC Name: 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
• SMILES: Cn1nc(C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2ccc(F)cc21
• InChI: InChI=1S/C23H24FN5O2/c1-27-20-14-16(24)6-7-18(20)21(26-27)15-8-10-28(11-9-15)12-13-29-22(30)17-4-2-3-5-19(17)25-23(29)31/h2-7,14-15H,8-13H2,1H3,(H,25,31)
• InChIKey: CDXAIGYAWAFHGJ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 75.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione?

The IUPAC name of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione (CID 19020631) is 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione.

What is the SMILES notation for 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione?

The canonical SMILES for 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione is Cn1nc(C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2ccc(F)cc21.

What is the InChIKey of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione?

The InChIKey is CDXAIGYAWAFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-27-20-14-16(24)6-7-18(20)21(26-27)15-8-10-28(11-9-15)12-13-29-22(30)17-4-2-3-5-19(17)25-23(29)31/h2-7,14-15H,8-13H2,1H3,(H,25,31).

What are the key properties of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione?

3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 421.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19020631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).