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

C26H27N5O4 — CID 91117359

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

2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide (PubChem CID 91117359) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
• PubChem CID: 91117359
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
• SMILES: Cc1ccc(Oc2ccc(Nc3ncnc4cccc(OCCNC(=O)C(C)O)c34)cc2C)cn1
• InChI: InChI=1S/C26H27N5O4/c1-16-13-19(8-10-22(16)35-20-9-7-17(2)28-14-20)31-25-24-21(29-15-30-25)5-4-6-23(24)34-12-11-27-26(33)18(3)32/h4-10,13-15,18,32H,11-12H2,1-3H3,(H,27,33)(H,29,30,31)
• InChIKey: NCPAAWVROYYNEY-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 118.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide (CID 91117359) is 2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide.

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

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

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

The InChIKey is NCPAAWVROYYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16-13-19(8-10-22(16)35-20-9-7-17(2)28-14-20)31-25-24-21(29-15-30-25)5-4-6-23(24)34-12-11-27-26(33)18(3)32/h4-10,13-15,18,32H,11-12H2,1-3H3,(H,27,33)(H,29,30,31).

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

2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide has a molecular weight of 473.53 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide is sourced from PubChem (CID 91117359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).