tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate

C24H21FN2O3 — CID 139804747

IUPACtert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1c2ccc(F)cc2c(=O)c2ccc(-c3ccccn3)cc21
InChIInChI=1S/C24H21FN2O3/c1-24(2,3)30-22(28)14-27-20-10-8-16(25)13-18(20)23(29)17-9-7-15(12-21(17)27)19-6-4-5-11-26-19/h4-13H,14H2,1-3H3
InChIKeyYVQXXHGDWXPMKB-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.70
Rot. Bonds3

About tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate

tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate (PubChem CID 139804747) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate
PubChem CID139804747
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Nametert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1c2ccc(F)cc2c(=O)c2ccc(-c3ccccn3)cc21
InChIInChI=1S/C24H21FN2O3/c1-24(2,3)30-22(28)14-27-20-10-8-16(25)13-18(20)23(29)17-9-7-15(12-21(17)27)19-6-4-5-11-26-19/h4-13H,14H2,1-3H3
InChIKeyYVQXXHGDWXPMKB-UHFFFAOYSA-N
XLogP4.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate?
The IUPAC name of tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate (CID 139804747) is tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate is CC(C)(C)OC(=O)Cn1c2ccc(F)cc2c(=O)c2ccc(-c3ccccn3)cc21.
What is the InChIKey of tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate?
The InChIKey is YVQXXHGDWXPMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-24(2,3)30-22(28)14-27-20-10-8-16(25)13-18(20)23(29)17-9-7-15(12-21(17)27)19-6-4-5-11-26-19/h4-13H,14H2,1-3H3.
What are the key properties of tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate?
tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate has a molecular weight of 404.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate is sourced from PubChem (CID 139804747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).