(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate

C26H19NO5 — CID 16583704

IUPAC(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc12
InChIInChI=1S/C26H19NO5/c1-2-16-13-24(28)32-23-14-17(11-12-18(16)23)31-25(29)15-27-21-9-5-3-7-19(21)26(30)20-8-4-6-10-22(20)27/h3-14H,2,15H2,1H3
InChIKeyUOILYUHBUFLFNQ-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.43
Rot. Bonds4

About (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate

(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16583704) has the molecular formula C26H19NO5 and a molecular weight of 425.44 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
PubChem CID16583704
Molecular FormulaC26H19NO5
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Name(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
SMILESCCc1cc(=O)oc2cc(OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc12
InChIInChI=1S/C26H19NO5/c1-2-16-13-24(28)32-23-14-17(11-12-18(16)23)31-25(29)15-27-21-9-5-3-7-19(21)26(30)20-8-4-6-10-22(20)27/h3-14H,2,15H2,1H3
InChIKeyUOILYUHBUFLFNQ-UHFFFAOYSA-N
XLogP4.43
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
(4-ethyl-2-oxochromen-7-yl) 2-(2-chloro-6-fluorophenyl)acetate
CID 8879823
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
[4-(hydroxymethyl)-2-oxochromen-7-yl] benzoate
CID 132502490
(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
CID 18149004
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate (CID 16583704) is (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate is CCc1cc(=O)oc2cc(OC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is UOILYUHBUFLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO5/c1-2-16-13-24(28)32-23-14-17(11-12-18(16)23)31-25(29)15-27-21-9-5-3-7-19(21)26(30)20-8-4-6-10-22(20)27/h3-14H,2,15H2,1H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate?
(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 425.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).