bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate

C29H21GaN2O4S2 — CID 18346357

IUPACbis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate
SMILESCc1ccc2cccc(O[Ga](OC(=O)c3ccc(-c4cccs4)s3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/2C10H9NO.C9H6O2S2.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;10-9(11)8-4-3-7(13-8)6-2-1-5-12-6;/h2*2-6,12H,1H3;1-5H,(H,10,11);/q;;;+3/p-3
InChIKeyGMLAUYOSNNLTAA-UHFFFAOYSA-K
MW595.35 g/mol
LogP7.49
Rot. Bonds7

About bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate

bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate (PubChem CID 18346357) has the molecular formula C29H21GaN2O4S2 and a molecular weight of 595.35 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate
PubChem CID18346357
Molecular FormulaC29H21GaN2O4S2
Molecular Weight595.35 g/mol
Exact Mass594.02
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate
SMILESCc1ccc2cccc(O[Ga](OC(=O)c3ccc(-c4cccs4)s3)Oc3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/2C10H9NO.C9H6O2S2.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;10-9(11)8-4-3-7(13-8)6-2-1-5-12-6;/h2*2-6,12H,1H3;1-5H,(H,10,11);/q;;;+3/p-3
InChIKeyGMLAUYOSNNLTAA-UHFFFAOYSA-K
XLogP7.49
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.35
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate (CID 18346357) is bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate is Cc1ccc2cccc(O[Ga](OC(=O)c3ccc(-c4cccs4)s3)Oc3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate?
The InChIKey is GMLAUYOSNNLTAA-UHFFFAOYSA-K. The full InChI is InChI=1S/2C10H9NO.C9H6O2S2.Ga/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;10-9(11)8-4-3-7(13-8)6-2-1-5-12-6;/h2*2-6,12H,1H3;1-5H,(H,10,11);/q;;;+3/p-3.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate?
bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate has a molecular weight of 595.35 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]gallanyl 5-thiophen-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 18346357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).