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

C21H14BrNO3 — CID 16583730

IUPAC(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1Br
InChIInChI=1S/C21H14BrNO3/c22-16-9-3-6-12-19(16)26-20(24)13-23-17-10-4-1-7-14(17)21(25)15-8-2-5-11-18(15)23/h1-12H,13H2
InChIKeyVYXRCVJBELFLAW-UHFFFAOYSA-N
MW408.25 g/mol
LogP4.52
Rot. Bonds3

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

(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16583730) has the molecular formula C21H14BrNO3 and a molecular weight of 408.25 g/mol. Its IUPAC name is (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
PubChem CID16583730
Molecular FormulaC21H14BrNO3
Molecular Weight408.25 g/mol
Exact Mass407.02
IUPAC Name(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1Br
InChIInChI=1S/C21H14BrNO3/c22-16-9-3-6-12-19(16)26-20(24)13-23-17-10-4-1-7-14(17)21(25)15-8-2-5-11-18(15)23/h1-12H,13H2
InChIKeyVYXRCVJBELFLAW-UHFFFAOYSA-N
XLogP4.52
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
(2,4,5-trichlorophenyl) 2-carbazol-9-ylacetate
CID 14920378
[4-[(2-methoxybenzoyl)amino]phenyl] 2-(9-oxoacridin-10-yl)acetate
CID 16605535
[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
[2-(4-fluorophenyl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587190
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
methyl 2-carbazol-9-ylacetate
CID 3745219
(4-ethyl-2-oxochromen-7-yl) 2-(9-oxoacridin-10-yl)acetate
CID 16583704

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate (CID 16583730) is (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccccc1Br.
What is the InChIKey of (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is VYXRCVJBELFLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO3/c22-16-9-3-6-12-19(16)26-20(24)13-23-17-10-4-1-7-14(17)21(25)15-8-2-5-11-18(15)23/h1-12H,13H2.
What are the key properties of (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate?
(2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 408.25 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16583730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).