ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate

C18H19ClN2O3 — CID 20866032

IUPACethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16(22)10-20-18(23)11-7-8-13-15(9-11)21-14-6-4-3-5-12(14)17(13)19/h7-9H,2-6,10H2,1H3,(H,20,23)
InChIKeyYRIRXEYELQGZLO-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.06
Rot. Bonds4

About ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate

ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate (PubChem CID 20866032) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
PubChem CID20866032
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Nameethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16(22)10-20-18(23)11-7-8-13-15(9-11)21-14-6-4-3-5-12(14)17(13)19/h7-9H,2-6,10H2,1H3,(H,20,23)
InChIKeyYRIRXEYELQGZLO-UHFFFAOYSA-N
XLogP3.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate with MolForge

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Related Compounds

ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250
9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749
9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 6620100
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866048
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256284
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
CID 155528154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate (CID 20866032) is ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3.
What is the InChIKey of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate?
The InChIKey is YRIRXEYELQGZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-24-16(22)10-20-18(23)11-7-8-13-15(9-11)21-14-6-4-3-5-12(14)17(13)19/h7-9H,2-6,10H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate?
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate has a molecular weight of 346.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 20866032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).