2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole

C41H23FN6OS4 — CID 177047484

IUPAC2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc3nc(-c4cc(-c5ccc(-c6nc7cc(-c8nccs8)ccc7nc6-c6ccc(F)cc6)s5)cs4)c(-c4cccs4)nc3c2)o1
InChIInChI=1S/C41H23FN6OS4/c1-22-20-44-40(49-22)24-6-10-29-30(17-24)47-37(33-3-2-15-50-33)39(46-29)35-19-26(21-52-35)32-12-13-34(53-32)38-36(23-4-8-27(42)9-5-23)45-28-11-7-25(18-31(28)48-38)41-43-14-16-51-41/h2-21H,1H3
InChIKeyAHYRQMNEUICEIN-UHFFFAOYSA-N
MW762.94 g/mol
LogP12.32
Rot. Bonds7

About 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole

2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole (PubChem CID 177047484) has the molecular formula C41H23FN6OS4 and a molecular weight of 762.94 g/mol. Its IUPAC name is 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole
PubChem CID177047484
Molecular FormulaC41H23FN6OS4
Molecular Weight762.94 g/mol
Exact Mass762.08
IUPAC Name2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc3nc(-c4cc(-c5ccc(-c6nc7cc(-c8nccs8)ccc7nc6-c6ccc(F)cc6)s5)cs4)c(-c4cccs4)nc3c2)o1
InChIInChI=1S/C41H23FN6OS4/c1-22-20-44-40(49-22)24-6-10-29-30(17-24)47-37(33-3-2-15-50-33)39(46-29)35-19-26(21-52-35)32-12-13-34(53-32)38-36(23-4-8-27(42)9-5-23)45-28-11-7-25(18-31(28)48-38)41-43-14-16-51-41/h2-21H,1H3
InChIKeyAHYRQMNEUICEIN-UHFFFAOYSA-N
XLogP12.32
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.94
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole (CID 177047484) is 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole is Cc1cnc(-c2ccc3nc(-c4cc(-c5ccc(-c6nc7cc(-c8nccs8)ccc7nc6-c6ccc(F)cc6)s5)cs4)c(-c4cccs4)nc3c2)o1.
What is the InChIKey of 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole?
The InChIKey is AHYRQMNEUICEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23FN6OS4/c1-22-20-44-40(49-22)24-6-10-29-30(17-24)47-37(33-3-2-15-50-33)39(46-29)35-19-26(21-52-35)32-12-13-34(53-32)38-36(23-4-8-27(42)9-5-23)45-28-11-7-25(18-31(28)48-38)41-43-14-16-51-41/h2-21H,1H3.
What are the key properties of 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole?
2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole has a molecular weight of 762.94 g/mol, XLogP of 12.32, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-[3-(4-fluorophenyl)-7-(1,3-thiazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]thiophen-2-yl]-3-thiophen-2-ylquinoxalin-6-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 177047484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).