2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide

C22H18ClN5O3 — CID 11503005

IUPAC2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide
SMILESNC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
InChIInChI=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)
InChIKeyDEDWEDQNCVGJQP-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.86
Rot. Bonds8

About 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide

2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide (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 Name2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide
PubChem CID11503005
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC Name2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide
SMILESNC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
InChIInChI=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)
InChIKeyDEDWEDQNCVGJQP-UHFFFAOYSA-N
XLogP3.86
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide?
The IUPAC name of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide (CID 11503005) is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide.
What is the SMILES notation for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide?
The canonical SMILES for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide is NC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12.
What is the InChIKey of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide?
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 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide?
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide 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 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetamide is sourced from PubChem (CID 11503005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).