5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline

C38H22N4OS — CID 141175901

IUPAC5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline
SMILESc1csc(-c2ccc3nc(-c4nccc5ccccc45)nc(-c4ccc5ccccc5n4)c3c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C38H22N4OS/c1-4-11-26-23(8-1)19-20-39-36(26)38-41-29-18-16-27(33-14-7-21-44-33)34(32-22-25-10-3-6-13-31(25)43-32)35(29)37(42-38)30-17-15-24-9-2-5-12-28(24)40-30/h1-22H
InChIKeyGWXMSTOVKLHMGK-UHFFFAOYSA-N
MW582.69 g/mol
LogP10.20
Rot. Bonds4

About 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline

5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline (PubChem CID 141175901) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline
PubChem CID141175901
Molecular FormulaC38H22N4OS
Molecular Weight582.69 g/mol
Exact Mass582.15
IUPAC Name5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline
SMILESc1csc(-c2ccc3nc(-c4nccc5ccccc45)nc(-c4ccc5ccccc5n4)c3c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C38H22N4OS/c1-4-11-26-23(8-1)19-20-39-36(26)38-41-29-18-16-27(33-14-7-21-44-33)34(32-22-25-10-3-6-13-31(25)43-32)35(29)37(42-38)30-17-15-24-9-2-5-12-28(24)40-30/h1-22H
InChIKeyGWXMSTOVKLHMGK-UHFFFAOYSA-N
XLogP10.20
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.69
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-11-(4-pyridin-2-ylpiperazin-1-yl)-[1]benzofuro[3,2-b]quinoline
CID 145977112
6-(1-Benzofuran-3-yl)-3-fluoro-5-pyridin-3-ylpyrido[2,3-f]quinazoline
CID 89891088
18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-1-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 149135658
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155096700
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
8-(2-Pyrimidin-2-ylphenyl)-5-[8-[8-(2-pyrimidin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 57958302
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
N-[3-methyl-4-[[3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-thiophen-2-ylbenzamide
CID 58397182
5-[8-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 58501547
9-[8-(8-Pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 58501581

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline?
The IUPAC name of 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline (CID 141175901) is 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline is c1csc(-c2ccc3nc(-c4nccc5ccccc45)nc(-c4ccc5ccccc5n4)c3c2-c2cc3ccccc3o2)c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline?
The InChIKey is GWXMSTOVKLHMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-4-11-26-23(8-1)19-20-39-36(26)38-41-29-18-16-27(33-14-7-21-44-33)34(32-22-25-10-3-6-13-31(25)43-32)35(29)37(42-38)30-17-15-24-9-2-5-12-28(24)40-30/h1-22H.
What are the key properties of 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline?
5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline has a molecular weight of 582.69 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline is sourced from PubChem (CID 141175901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).