2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline

C46H28N6O2S — CID 141300498

IUPAC2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline
SMILESc1coc(C2(c3ccc4ccccc4n3)C(c3cnc4ccccc4n3)=C(c3ncc4ccccc4n3)OC2(c2cccs2)c2nccc3ccccc23)c1
InChIInChI=1S/C46H28N6O2S/c1-4-14-32-29(11-1)23-24-47-43(32)46(40-20-10-26-55-40)45(39-19-9-25-53-39,38-22-21-30-12-2-5-15-33(30)51-38)41(37-28-48-35-17-7-8-18-36(35)50-37)42(54-46)44-49-27-31-13-3-6-16-34(31)52-44/h1-28H
InChIKeyVBGZOMUVKCDMPA-UHFFFAOYSA-N
MW728.84 g/mol
LogP10.15
Rot. Bonds6

About 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline

2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline (PubChem CID 141300498) has the molecular formula C46H28N6O2S and a molecular weight of 728.84 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline
PubChem CID141300498
Molecular FormulaC46H28N6O2S
Molecular Weight728.84 g/mol
Exact Mass728.20
IUPAC Name2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline
SMILESc1coc(C2(c3ccc4ccccc4n3)C(c3cnc4ccccc4n3)=C(c3ncc4ccccc4n3)OC2(c2cccs2)c2nccc3ccccc23)c1
InChIInChI=1S/C46H28N6O2S/c1-4-14-32-29(11-1)23-24-47-43(32)46(40-20-10-26-55-40)45(39-19-9-25-53-39,38-22-21-30-12-2-5-15-33(30)51-38)41(37-28-48-35-17-7-8-18-36(35)50-37)42(54-46)44-49-27-31-13-3-6-16-34(31)52-44/h1-28H
InChIKeyVBGZOMUVKCDMPA-UHFFFAOYSA-N
XLogP10.15
TPSA99.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.84
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,12,17(22),18,20-nonaene;N-phenyl-1-(3-pyridin-2-ylphenyl)ethanimine;N-phenyl-1-(3-pyridin-2-ylphenyl)methanimine;N-phenyl-1-(5-pyridin-2-ylthiophen-3-yl)methanimine;9-pyridin-2-yl-5,6-dihydrobenzo[h]quinoline;2-(4-pyridin-2-ylfuran-2-yl)pyridine;2-(3-pyridin-2-ylphenyl)pyridine;2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]pyrimidine
CID 157645742
7-Benzyl-5-(furan-2-yl)-8-phenyl-4-pyridin-2-yl-3-pyrimidin-2-yl-1-quinolin-2-yl-6-thiophen-2-ylisoquinoline
CID 141008286
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-5-(furan-2-yl)-2-isoquinolin-1-yl-1-quinolin-2-yl-2-thiophen-2-ylimidazol-4-yl]quinazoline
CID 141025455
4-[6-(Furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-pyridin-2-yl-2-pyrimidin-2-yl-5-thiophen-2-ylcyclohexa-1,3-dien-1-yl]triazine
CID 141055041
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline
CID 141099357
4-(Furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-2-thiophen-2-ylpyrimidine
CID 141164900
5-(1-Benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline
CID 141175901
3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
CID 141281768
2-[6-(1-Benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-ylnaphthalen-1-yl]quinoxaline
CID 141292518
2-[4-(Furan-2-yl)-5-pyrazin-2-yl-6-pyridin-2-yl-3-thiophen-2-yl-2-pyridinyl]pyrimidine
CID 141524596
Benzene;bis(1,1'-biphenyl);2,5-dimethylpyrimidine;ethane;furan;naphthalene;phenanthrene;pyrazine;pyridine;quinoline;thiophene
CID 157255639
2,3-Bis(2-phenylphenyl)quinoxaline;2,5-dimethyl-1-phenyl-4-(2-phenylthiophen-3-yl)imidazole;2-(2,4-diphenylfuran-3-yl)pyridine;2-(2,4-diphenylthiophen-3-yl)pyridine;2-(2-phenylfuran-3-yl)pyridine;2-(2-phenylthiophen-3-yl)pyridine
CID 157742875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline?
The IUPAC name of 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline (CID 141300498) is 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline.
What is the SMILES notation for 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline?
The canonical SMILES for 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline is c1coc(C2(c3ccc4ccccc4n3)C(c3cnc4ccccc4n3)=C(c3ncc4ccccc4n3)OC2(c2cccs2)c2nccc3ccccc23)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline?
The InChIKey is VBGZOMUVKCDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O2S/c1-4-14-32-29(11-1)23-24-47-43(32)46(40-20-10-26-55-40)45(39-19-9-25-53-39,38-22-21-30-12-2-5-15-33(30)51-38)41(37-28-48-35-17-7-8-18-36(35)50-37)42(54-46)44-49-27-31-13-3-6-16-34(31)52-44/h1-28H.
What are the key properties of 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline?
2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline has a molecular weight of 728.84 g/mol, XLogP of 10.15, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline is sourced from PubChem (CID 141300498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).