2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline

C56H33N7O — CID 141055143

IUPAC2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline
SMILESc1ccc2nc(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5[nH]4)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c3-c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C56H33N7O/c1-6-18-38-33(13-1)27-28-57-55(38)53-49(44-26-25-34-14-2-7-19-39(34)60-44)52(48-30-36-16-5-12-24-47(36)64-48)50(45-29-35-15-3-8-20-40(35)61-45)54(56-59-31-37-17-4-9-21-41(37)63-56)51(53)46-32-58-42-22-10-11-23-43(42)62-46/h1-32,61H
InChIKeyBGDLAXNFVKRSSZ-UHFFFAOYSA-N
MW819.93 g/mol
LogP13.90
Rot. Bonds6

About 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline

2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline (PubChem CID 141055143) has the molecular formula C56H33N7O and a molecular weight of 819.93 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline
PubChem CID141055143
Molecular FormulaC56H33N7O
Molecular Weight819.93 g/mol
Exact Mass819.27
IUPAC Name2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline
SMILESc1ccc2nc(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5[nH]4)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c3-c3nccc4ccccc34)ccc2c1
InChIInChI=1S/C56H33N7O/c1-6-18-38-33(13-1)27-28-57-55(38)53-49(44-26-25-34-14-2-7-19-39(34)60-44)52(48-30-36-16-5-12-24-47(36)64-48)50(45-29-35-15-3-8-20-40(35)61-45)54(56-59-31-37-17-4-9-21-41(37)63-56)51(53)46-32-58-42-22-10-11-23-43(42)62-46/h1-32,61H
InChIKeyBGDLAXNFVKRSSZ-UHFFFAOYSA-N
XLogP13.90
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.93
LogP ≤ 513.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone
CID 46215373
1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone
CID 46215374
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326893
1-(1-Benzofuran-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141737653
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-methoxy-3-pyridinyl)quinoline-7-carboxamide
CID 122431438
N-(benzofuran-4-ylmethyl)-8-(6-(piperazin-1-
CID 139346258
6-dibenzofuran-1-yl-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 172438797
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[3-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-5-yl]phenyl]ethyl]pyrimidin-4-amine
CID 127035046
2-[4-[8-(1-Benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
CID 11327656
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22018743
12-Fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 44546953

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline (CID 141055143) is 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline is c1ccc2nc(-c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5[nH]4)c(-c4ncc5ccccc5n4)c(-c4cnc5ccccc5n4)c3-c3nccc4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline?
The InChIKey is BGDLAXNFVKRSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N7O/c1-6-18-38-33(13-1)27-28-57-55(38)53-49(44-26-25-34-14-2-7-19-39(34)60-44)52(48-30-36-16-5-12-24-47(36)64-48)50(45-29-35-15-3-8-20-40(35)61-45)54(56-59-31-37-17-4-9-21-41(37)63-56)51(53)46-32-58-42-22-10-11-23-43(42)62-46/h1-32,61H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline?
2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline has a molecular weight of 819.93 g/mol, XLogP of 13.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-6-quinazolin-2-yl-3-quinolin-2-ylphenyl]quinoxaline is sourced from PubChem (CID 141055143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).