2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one

C23H19N3O3 — CID 44562552

IUPAC2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cncnc4)c3)cccc12
InChIInChI=1S/C23H19N3O3/c27-21-12-22(26-7-9-28-10-8-26)29-23-19(5-2-6-20(21)23)17-4-1-3-16(11-17)18-13-24-15-25-14-18/h1-6,11-15H,7-10H2
InChIKeyIQJAFXZUJLSTMN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.75
Rot. Bonds3

About 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one

2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one (PubChem CID 44562552) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one
PubChem CID44562552
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cncnc4)c3)cccc12
InChIInChI=1S/C23H19N3O3/c27-21-12-22(26-7-9-28-10-8-26)29-23-19(5-2-6-20(21)23)17-4-1-3-16(11-17)18-13-24-15-25-14-18/h1-6,11-15H,7-10H2
InChIKeyIQJAFXZUJLSTMN-UHFFFAOYSA-N
XLogP3.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one (CID 44562552) is 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4cncnc4)c3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one?
The InChIKey is IQJAFXZUJLSTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-21-12-22(26-7-9-28-10-8-26)29-23-19(5-2-6-20(21)23)17-4-1-3-16(11-17)18-13-24-15-25-14-18/h1-6,11-15H,7-10H2.
What are the key properties of 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one?
2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one has a molecular weight of 385.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-(3-pyrimidin-5-ylphenyl)chromen-4-one is sourced from PubChem (CID 44562552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).