ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate

C24H22ClN3O3 — CID 155297735

IUPACethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate
SMILESCCOC(=O)Cn1c2cc(-c3ccccn3)ccc2c(=O)c2ccc(Cl)c(N(C)C)c21
InChIInChI=1S/C24H22ClN3O3/c1-4-31-21(29)14-28-20-13-15(19-7-5-6-12-26-19)8-9-16(20)24(30)17-10-11-18(25)23(22(17)28)27(2)3/h5-13H,4,14H2,1-3H3
InChIKeyXYBASANTXPEETM-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.50
Rot. Bonds5

About ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate

ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate (PubChem CID 155297735) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate
PubChem CID155297735
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Nameethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate
SMILESCCOC(=O)Cn1c2cc(-c3ccccn3)ccc2c(=O)c2ccc(Cl)c(N(C)C)c21
InChIInChI=1S/C24H22ClN3O3/c1-4-31-21(29)14-28-20-13-15(19-7-5-6-12-26-19)8-9-16(20)24(30)17-10-11-18(25)23(22(17)28)27(2)3/h5-13H,4,14H2,1-3H3
InChIKeyXYBASANTXPEETM-UHFFFAOYSA-N
XLogP4.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(2-fluoro-9-oxo-6-pyridin-2-ylacridin-10-yl)acetate
CID 139804747
Ethyl 8-chloro-7-fluoro-9-[4-(3-fluoro-4-methylphenyl)piperazin-1-yl]-4-methyl-1-oxobenzo[f][1,7]naphthyridine-3-carboxylate
CID 11353013
2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl N-quinolin-8-ylcarbamate
CID 54135737
1-[5-Chloro-8-(3-methoxypiperidin-1-yl)quinolin-7-yl]ethanone
CID 58368485
1-{5-Chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinolin-7-yl}ethanone
CID 58368549
1-[5-Chloro-8-(4-cyclohexylpiperazin-1-yl)quinolin-7-yl]ethanone
CID 58368581
1-(5-Chloro-8-piperidin-1-ylquinolin-7-yl)ethanone
CID 58368621
Methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate
CID 58368623
Methyl 4-(7-acetyl-5-chloroquinolin-8-yl)piperazine-1-carboxylate
CID 58368625
1-[5-Chloro-8-(4-methoxypiperidin-1-yl)quinolin-7-yl]ethanone
CID 58368627
1-{5-Chloro-8-[4-(methoxyacetyl)piperazin-1-yl]quinolin-7-yl}ethanone
CID 58368665
1-{5-Chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl}ethanone
CID 67301675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate (CID 155297735) is ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate is CCOC(=O)Cn1c2cc(-c3ccccn3)ccc2c(=O)c2ccc(Cl)c(N(C)C)c21.
What is the InChIKey of ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate?
The InChIKey is XYBASANTXPEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-4-31-21(29)14-28-20-13-15(19-7-5-6-12-26-19)8-9-16(20)24(30)17-10-11-18(25)23(22(17)28)27(2)3/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate?
ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate has a molecular weight of 435.91 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyridin-2-ylacridin-10-yl]acetate is sourced from PubChem (CID 155297735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).