N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide

C29H33N5O3 — CID 170554520

About N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide

N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide (PubChem CID 170554520) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide
• PubChem CID: 170554520
• Molecular Formula: C29H33N5O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.26
• IUPAC Name: N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide
• SMILES: COc1ccc(-c2cc(OCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1
• InChI: InChI=1S/C29H33N5O3/c1-20-23-16-22(21-13-14-28(36-2)31-18-21)17-26(29(23)33-19-32-20)37-15-9-5-3-4-6-12-27(35)34-25-11-8-7-10-24(25)30/h7-8,10-11,13-14,16-19H,3-6,9,12,15,30H2,1-2H3,(H,34,35)
• InChIKey: GZVADPMTZLUXJK-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 112.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide?

The IUPAC name of N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide (CID 170554520) is N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide.

What is the SMILES notation for N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide?

The canonical SMILES for N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide is COc1ccc(-c2cc(OCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1.

What is the InChIKey of N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide?

The InChIKey is GZVADPMTZLUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-20-23-16-22(21-13-14-28(36-2)31-18-21)17-26(29(23)33-19-32-20)37-15-9-5-3-4-6-12-27(35)34-25-11-8-7-10-24(25)30/h7-8,10-11,13-14,16-19H,3-6,9,12,15,30H2,1-2H3,(H,34,35).

What are the key properties of N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide?

N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide has a molecular weight of 499.62 g/mol, XLogP of 5.95, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-8-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyoctanamide is sourced from PubChem (CID 170554520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).