[2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C20H16BrNO3S — CID 2345851

IUPAC[2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Br)s1
InChIInChI=1S/C20H16BrNO3S/c21-18-10-9-17(26-18)16(23)11-25-20(24)19-12-5-1-3-7-14(12)22-15-8-4-2-6-13(15)19/h1,3,5,7,9-10H,2,4,6,8,11H2
InChIKeyOOGGFJBJUYKRAZ-UHFFFAOYSA-N
MW430.32 g/mol
LogP4.98
Rot. Bonds4

About [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2345851) has the molecular formula C20H16BrNO3S and a molecular weight of 430.32 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2345851
Molecular FormulaC20H16BrNO3S
Molecular Weight430.32 g/mol
Exact Mass429.00
IUPAC Name[2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Br)s1
InChIInChI=1S/C20H16BrNO3S/c21-18-10-9-17(26-18)16(23)11-25-20(24)19-12-5-1-3-7-14(12)22-15-8-4-2-6-13(15)19/h1,3,5,7,9-10H,2,4,6,8,11H2
InChIKeyOOGGFJBJUYKRAZ-UHFFFAOYSA-N
XLogP4.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate 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

2-(5-Methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 673714
6-Bromo-2-thien-2-ylquinoline-4-carboxylic acid
CID 755656
2-(5-Bromothiophen-2-yl)quinoline-4-carboxylic acid
CID 759120
Methyl 2-thien-2-ylquinoline-4-carboxylate
CID 3577080
2-(5-Ethylthiophen-2-yl)quinoline-4-carboxylic acid
CID 753050
6-Bromo-2-(5-ethylthiophen-2-yl)-3-methylquinoline-4-carboxylic acid
CID 995260
[2-(4-Methoxyphenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218255
2-(3-Methoxyphenyl)-2-oxoethyl 2-(2-thienyl)-4-quinolinecarboxylate
CID 1218256
2-Oxo-2-(2-thienyl)ethyl 2-methyl-4-quinolinecarboxylate
CID 795666
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2122837
[2-(4-carbamoylanilino)-2-oxoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 15944935
[2-(4-acetylanilino)-2-oxoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 15944938

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2345851) is [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Br)s1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is OOGGFJBJUYKRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3S/c21-18-10-9-17(26-18)16(23)11-25-20(24)19-12-5-1-3-7-14(12)22-15-8-4-2-6-13(15)19/h1,3,5,7,9-10H,2,4,6,8,11H2.
What are the key properties of [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 430.32 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2345851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).