(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate

C20H17NO5 — CID 11508573

IUPAC(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate
SMILESO=C(Oc1ccc2c(=O)cc(N3CCOCC3)oc2c1)c1ccccc1
InChIInChI=1S/C20H17NO5/c22-17-13-19(21-8-10-24-11-9-21)26-18-12-15(6-7-16(17)18)25-20(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyGIEJDWWZPMOULL-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.85
Rot. Bonds3

About (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate

(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate (PubChem CID 11508573) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate
PubChem CID11508573
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate
SMILESO=C(Oc1ccc2c(=O)cc(N3CCOCC3)oc2c1)c1ccccc1
InChIInChI=1S/C20H17NO5/c22-17-13-19(21-8-10-24-11-9-21)26-18-12-15(6-7-16(17)18)25-20(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyGIEJDWWZPMOULL-UHFFFAOYSA-N
XLogP2.85
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate?
The IUPAC name of (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate (CID 11508573) is (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate.
What is the SMILES notation for (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate?
The canonical SMILES for (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate is O=C(Oc1ccc2c(=O)cc(N3CCOCC3)oc2c1)c1ccccc1.
What is the InChIKey of (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate?
The InChIKey is GIEJDWWZPMOULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c22-17-13-19(21-8-10-24-11-9-21)26-18-12-15(6-7-16(17)18)25-20(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2.
What are the key properties of (2-morpholin-4-yl-4-oxochromen-7-yl) benzoate?
(2-morpholin-4-yl-4-oxochromen-7-yl) benzoate has a molecular weight of 351.36 g/mol, XLogP of 2.85, 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-4-oxochromen-7-yl) benzoate is sourced from PubChem (CID 11508573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).