2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one

C26H24FN5O4 — CID 69492197

IUPAC2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(F)c3)c12)C(=O)N1CCOCC1
InChIInChI=1S/C26H24FN5O4/c1-17(26(33)32-10-12-34-13-11-32)35-23-6-2-5-21-24(23)25(30-16-29-21)31-18-7-8-22(20(27)14-18)36-19-4-3-9-28-15-19/h2-9,14-17H,10-13H2,1H3,(H,29,30,31)
InChIKeyWEZZNWQATVXVDW-UHFFFAOYSA-N
MW489.51 g/mol
LogP4.33
Rot. Bonds7

About 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one

2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one (PubChem CID 69492197) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
PubChem CID69492197
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(F)c3)c12)C(=O)N1CCOCC1
InChIInChI=1S/C26H24FN5O4/c1-17(26(33)32-10-12-34-13-11-32)35-23-6-2-5-21-24(23)25(30-16-29-21)31-18-7-8-22(20(27)14-18)36-19-4-3-9-28-15-19/h2-9,14-17H,10-13H2,1H3,(H,29,30,31)
InChIKeyWEZZNWQATVXVDW-UHFFFAOYSA-N
XLogP4.33
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one (CID 69492197) is 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one is CC(Oc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(F)c3)c12)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is WEZZNWQATVXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-17(26(33)32-10-12-34-13-11-32)35-23-6-2-5-21-24(23)25(30-16-29-21)31-18-7-8-22(20(27)14-18)36-19-4-3-9-28-15-19/h2-9,14-17H,10-13H2,1H3,(H,29,30,31).
What are the key properties of 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one?
2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 489.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 69492197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).