2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone

C26H24ClN5O4 — CID 11547919

IUPAC2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N1CCOCC1
InChIInChI=1S/C26H24ClN5O4/c27-20-14-18(7-8-22(20)35-15-19-4-1-2-9-28-19)31-26-25-21(29-17-30-26)5-3-6-23(25)36-16-24(33)32-10-12-34-13-11-32/h1-9,14,17H,10-13,15-16H2,(H,29,30,31)
InChIKeyIIDKWOQWPGRLIW-UHFFFAOYSA-N
MW505.96 g/mol
LogP4.24
Rot. Bonds8

About 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone

2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 11547919) has the molecular formula C26H24ClN5O4 and a molecular weight of 505.96 g/mol. Its IUPAC name is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone
PubChem CID11547919
Molecular FormulaC26H24ClN5O4
Molecular Weight505.96 g/mol
Exact Mass505.15
IUPAC Name2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone
SMILESO=C(COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N1CCOCC1
InChIInChI=1S/C26H24ClN5O4/c27-20-14-18(7-8-22(20)35-15-19-4-1-2-9-28-19)31-26-25-21(29-17-30-26)5-3-6-23(25)36-16-24(33)32-10-12-34-13-11-32/h1-9,14,17H,10-13,15-16H2,(H,29,30,31)
InChIKeyIIDKWOQWPGRLIW-UHFFFAOYSA-N
XLogP4.24
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone (CID 11547919) is 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone is O=C(COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N1CCOCC1.
What is the InChIKey of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is IIDKWOQWPGRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O4/c27-20-14-18(7-8-22(20)35-15-19-4-1-2-9-28-19)31-26-25-21(29-17-30-26)5-3-6-23(25)36-16-24(33)32-10-12-34-13-11-32/h1-9,14,17H,10-13,15-16H2,(H,29,30,31).
What are the key properties of 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone?
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 505.96 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 11547919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).