2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole

C39H28N4OS — CID 141145270

IUPAC2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(-c2nc(-c3nccs3)c(N3CCCc4ccccc43)c(-c3cc4ccccc4[nH]3)c2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C39H28N4OS/c1-2-12-26(13-3-1)36-35(33-24-28-15-6-9-19-32(28)44-33)34(30-23-27-14-4-7-17-29(27)41-30)38(37(42-36)39-40-20-22-45-39)43-21-10-16-25-11-5-8-18-31(25)43/h1-9,11-15,17-20,22-24,41H,10,16,21H2
InChIKeyRUSAQDCEDONXHG-UHFFFAOYSA-N
MW600.75 g/mol
LogP10.52
Rot. Bonds5

About 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole

2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole (PubChem CID 141145270) has the molecular formula C39H28N4OS and a molecular weight of 600.75 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole
PubChem CID141145270
Molecular FormulaC39H28N4OS
Molecular Weight600.75 g/mol
Exact Mass600.20
IUPAC Name2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(-c2nc(-c3nccs3)c(N3CCCc4ccccc43)c(-c3cc4ccccc4[nH]3)c2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C39H28N4OS/c1-2-12-26(13-3-1)36-35(33-24-28-15-6-9-19-32(28)44-33)34(30-23-27-14-4-7-17-29(27)41-30)38(37(42-36)39-40-20-22-45-39)43-21-10-16-25-11-5-8-18-31(25)43/h1-9,11-15,17-20,22-24,41H,10,16,21H2
InChIKeyRUSAQDCEDONXHG-UHFFFAOYSA-N
XLogP10.52
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.75
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(Furan-2-yl)quinolin-4-yl]-1,3-thiazole
CID 54225553
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline
CID 91327227
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
8-Carbazol-9-yl-4-(8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191522
5-([1]Benzothiolo[2,3-b]pyrazin-7-yl)-[1]benzofuro[3,2-c]carbazole
CID 134351403
8-(12,20-Diphenyl-3-thia-11,20-diaza-12-borapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-11-yl)-[1]benzofuro[3,2-c]pyridine
CID 140795739
8-(12,14-Diphenyl-10-thia-2,14-diaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaen-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 140795752
5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)isoquinoline
CID 140968611
1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
CID 140981088
2-[5-(furan-2-yl)-6-(oxolan-2-yl)-5-pyrazin-2-yl-4-pyridin-2-yl-6-thiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
CID 141059176

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole (CID 141145270) is 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole is c1ccc(-c2nc(-c3nccs3)c(N3CCCc4ccccc43)c(-c3cc4ccccc4[nH]3)c2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole?
The InChIKey is RUSAQDCEDONXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4OS/c1-2-12-26(13-3-1)36-35(33-24-28-15-6-9-19-32(28)44-33)34(30-23-27-14-4-7-17-29(27)41-30)38(37(42-36)39-40-20-22-45-39)43-21-10-16-25-11-5-8-18-31(25)43/h1-9,11-15,17-20,22-24,41H,10,16,21H2.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole?
2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole has a molecular weight of 600.75 g/mol, XLogP of 10.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(1H-indol-2-yl)-6-phenyl-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 141145270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).