ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate

C21H16ClN3O4 — CID 138658386

IUPACethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate
SMILESCCOC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(Oc3cnccn3)c21
InChIInChI=1S/C21H16ClN3O4/c1-2-28-18(26)12-25-16-6-4-3-5-13(16)20(27)14-7-8-15(22)21(19(14)25)29-17-11-23-9-10-24-17/h3-11H,2,12H2,1H3
InChIKeyPLMLPJIKOHQMLU-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.95
Rot. Bonds5

About ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate

ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate (PubChem CID 138658386) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate
PubChem CID138658386
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Nameethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate
SMILESCCOC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(Oc3cnccn3)c21
InChIInChI=1S/C21H16ClN3O4/c1-2-28-18(26)12-25-16-6-4-3-5-13(16)20(27)14-7-8-15(22)21(19(14)25)29-17-11-23-9-10-24-17/h3-11H,2,12H2,1H3
InChIKeyPLMLPJIKOHQMLU-UHFFFAOYSA-N
XLogP3.95
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-pyridin-3-ylacridin-10-yl)acetate
CID 138658390
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-[8-chloro-9-(dimethylamino)-2-ethyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetate
CID 155300910
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
ethyl 2-[8-chloro-9-(methylamino)-5-oxo-2-propan-2-ylbenzo[b][1,8]naphthyridin-10-yl]acetate
CID 155287632
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
ethyl 2-[3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-9-oxoacridin-10-yl]acetate
CID 135514501
2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyrazin-2-ylacridin-10-yl]acetic acid
CID 155297629
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate?
The IUPAC name of ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate (CID 138658386) is ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate is CCOC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(Oc3cnccn3)c21.
What is the InChIKey of ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate?
The InChIKey is PLMLPJIKOHQMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c1-2-28-18(26)12-25-16-6-4-3-5-13(16)20(27)14-7-8-15(22)21(19(14)25)29-17-11-23-9-10-24-17/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate?
ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate has a molecular weight of 409.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-9-oxo-4-pyrazin-2-yloxyacridin-10-yl)acetate is sourced from PubChem (CID 138658386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).