cyanomethyl 2-(9-oxoacridin-10-yl)acetate

C17H12N2O3 — CID 16587178

IUPACcyanomethyl 2-(9-oxoacridin-10-yl)acetate
SMILESN#CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C17H12N2O3/c18-9-10-22-16(20)11-19-14-7-3-1-5-12(14)17(21)13-6-2-4-8-15(13)19/h1-8H,10-11H2
InChIKeyCVNMYLZBNHKEEW-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.22
Rot. Bonds3

About cyanomethyl 2-(9-oxoacridin-10-yl)acetate

cyanomethyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587178) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is cyanomethyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Namecyanomethyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587178
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namecyanomethyl 2-(9-oxoacridin-10-yl)acetate
SMILESN#CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C17H12N2O3/c18-9-10-22-16(20)11-19-14-7-3-1-5-12(14)17(21)13-6-2-4-8-15(13)19/h1-8H,10-11H2
InChIKeyCVNMYLZBNHKEEW-UHFFFAOYSA-N
XLogP2.22
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.22
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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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612623
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587380
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16583730
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
CID 46688678

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of cyanomethyl 2-(9-oxoacridin-10-yl)acetate (CID 16587178) is cyanomethyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for cyanomethyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for cyanomethyl 2-(9-oxoacridin-10-yl)acetate is N#CCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of cyanomethyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is CVNMYLZBNHKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c18-9-10-22-16(20)11-19-14-7-3-1-5-12(14)17(21)13-6-2-4-8-15(13)19/h1-8H,10-11H2.
What are the key properties of cyanomethyl 2-(9-oxoacridin-10-yl)acetate?
cyanomethyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 292.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).