ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate

C22H17ClN2O3 — CID 138658390

IUPACethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate
SMILESCCOC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(-c3cccnc3)c21
InChIInChI=1S/C22H17ClN2O3/c1-2-28-19(26)13-25-18-8-4-3-7-15(18)22(27)16-9-10-17(23)20(21(16)25)14-6-5-11-24-12-14/h3-12H,2,13H2,1H3
InChIKeyVYSMGZGMXTUITJ-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.43
Rot. Bonds4

About ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate

ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate (PubChem CID 138658390) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate
PubChem CID138658390
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Nameethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate
SMILESCCOC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(-c3cccnc3)c21
InChIInChI=1S/C22H17ClN2O3/c1-2-28-19(26)13-25-18-8-4-3-7-15(18)22(27)16-9-10-17(23)20(21(16)25)14-6-5-11-24-12-14/h3-12H,2,13H2,1H3
InChIKeyVYSMGZGMXTUITJ-UHFFFAOYSA-N
XLogP4.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.43
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

ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate
CID 138658386
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate
CID 155297735
ethyl 2-[6-chloro-5-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetate
CID 155297681
ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetate
CID 164822559
ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[8-chloro-9-(methylamino)-5-oxo-2-propan-2-ylbenzo[b][1,8]naphthyridin-10-yl]acetate
CID 155287632
ethyl 2-(2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaen-9-yl)acetate
CID 155762058
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
ethyl 9-[3-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539946
ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate
CID 162727287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate?
The IUPAC name of ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate (CID 138658390) is ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate is CCOC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(-c3cccnc3)c21.
What is the InChIKey of ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate?
The InChIKey is VYSMGZGMXTUITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-2-28-19(26)13-25-18-8-4-3-7-15(18)22(27)16-9-10-17(23)20(21(16)25)14-6-5-11-24-12-14/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate?
ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate has a molecular weight of 392.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-9-oxo-4-pyridin-3-ylacridin-10-yl)acetate is sourced from PubChem (CID 138658390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).