5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide

C26H27N5O4 — CID 90981522

About 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide

5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide (PubChem CID 90981522) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide.

Molecular Properties

• Compound Name: 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide
• PubChem CID: 90981522
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide
• SMILES: Cc1ccc(Oc2ccc(Nc3ncnc4cccc(OC(CCCO)C(N)=O)c34)cc2C)cn1
• InChI: InChI=1S/C26H27N5O4/c1-16-13-18(9-11-21(16)34-19-10-8-17(2)28-14-19)31-26-24-20(29-15-30-26)5-3-6-22(24)35-23(25(27)33)7-4-12-32/h3,5-6,8-11,13-15,23,32H,4,7,12H2,1-2H3,(H2,27,33)(H,29,30,31)
• InChIKey: WCZSTHABYHZZLQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 132.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide?

The IUPAC name of 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide (CID 90981522) is 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide.

What is the SMILES notation for 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide?

The canonical SMILES for 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide is Cc1ccc(Oc2ccc(Nc3ncnc4cccc(OC(CCCO)C(N)=O)c34)cc2C)cn1.

What is the InChIKey of 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide?

The InChIKey is WCZSTHABYHZZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16-13-18(9-11-21(16)34-19-10-8-17(2)28-14-19)31-26-24-20(29-15-30-26)5-3-6-22(24)35-23(25(27)33)7-4-12-32/h3,5-6,8-11,13-15,23,32H,4,7,12H2,1-2H3,(H2,27,33)(H,29,30,31).

What are the key properties of 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide?

5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide has a molecular weight of 473.53 g/mol, XLogP of 4.18, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypentanamide is sourced from PubChem (CID 90981522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).