DEDWEDQNCVGJQP-UHFFFAOYSA-N

C₂₂H₁₈ClN₅O₃ — CID 11503005

About DEDWEDQNCVGJQP-UHFFFAOYSA-N

DEDWEDQNCVGJQP-UHFFFAOYSA-N (PubChem CID 11503005) has the molecular formula C₂₂H₁₈ClN₅O₃ and a molecular weight of 435.87 g/mol. Its IUPAC name is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide.

Molecular Properties

• Compound Name: DEDWEDQNCVGJQP-UHFFFAOYSA-N
• PubChem CID: 11503005
• Molecular Formula: C₂₂H₁₈ClN₅O₃
• Molecular Weight: 435.87 g/mol
• Exact Mass: 435.11
• IUPAC Name: 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide
• SMILES: NC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
• InChI: InChI=1S/C22H18ClN5O3/c23-16-10-14(7-8-18(16)30-11-15-4-1-2-9-25-15)28-22-21-17(26-13-27-22)5-3-6-19(21)31-12-20(24)29/h1-10,13H,11-12H2,(H2,24,29)(H,26,27,28)
• InChIKey: DEDWEDQNCVGJQP-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 112.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.87
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of DEDWEDQNCVGJQP-UHFFFAOYSA-N?

The IUPAC name of DEDWEDQNCVGJQP-UHFFFAOYSA-N (CID 11503005) is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide.

What is the SMILES notation for DEDWEDQNCVGJQP-UHFFFAOYSA-N?

The canonical SMILES for DEDWEDQNCVGJQP-UHFFFAOYSA-N is NC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12.

What is the InChIKey of DEDWEDQNCVGJQP-UHFFFAOYSA-N?

The InChIKey is DEDWEDQNCVGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c23-16-10-14(7-8-18(16)30-11-15-4-1-2-9-25-15)28-22-21-17(26-13-27-22)5-3-6-19(21)31-12-20(24)29/h1-10,13H,11-12H2,(H2,24,29)(H,26,27,28).

What are the key properties of DEDWEDQNCVGJQP-UHFFFAOYSA-N?

DEDWEDQNCVGJQP-UHFFFAOYSA-N has a molecular weight of 435.87 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for DEDWEDQNCVGJQP-UHFFFAOYSA-N is sourced from PubChem (CID 11503005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11503005 — identifiers, structure, computed properties (public domain)

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