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

C46H33N7OS — CID 141025455

IUPAC2-[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
SMILESc1coc(C2=C(c3ncc4ccccc4n3)N(N3CCCc4ccccc43)C(c3cccs3)(c3nccc4ccccc34)N2c2ccc3ccccc3n2)c1
InChIInChI=1S/C46H33N7OS/c1-5-17-35-31(12-1)25-26-47-44(35)46(40-22-11-29-55-40)52(41-24-23-32-13-2-6-18-36(32)49-41)42(39-21-10-28-54-39)43(45-48-30-34-15-3-7-19-37(34)50-45)53(46)51-27-9-16-33-14-4-8-20-38(33)51/h1-8,10-15,17-26,28-30H,9,16,27H2
InChIKeyFIMRUUXXWMNUGC-UHFFFAOYSA-N
MW731.89 g/mol
LogP10.30
Rot. Bonds6

About 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

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 (PubChem CID 141025455) has the molecular formula C46H33N7OS and a molecular weight of 731.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141025455
Molecular FormulaC46H33N7OS
Molecular Weight731.89 g/mol
Exact Mass731.25
IUPAC Name2-[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
SMILESc1coc(C2=C(c3ncc4ccccc4n3)N(N3CCCc4ccccc43)C(c3cccs3)(c3nccc4ccccc34)N2c2ccc3ccccc3n2)c1
InChIInChI=1S/C46H33N7OS/c1-5-17-35-31(12-1)25-26-47-44(35)46(40-22-11-29-55-40)52(41-24-23-32-13-2-6-18-36(32)49-41)42(39-21-10-28-54-39)43(45-48-30-34-15-3-7-19-37(34)50-45)53(46)51-27-9-16-33-14-4-8-20-38(33)51/h1-8,10-15,17-26,28-30H,9,16,27H2
InChIKeyFIMRUUXXWMNUGC-UHFFFAOYSA-N
XLogP10.30
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.89
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
Furan-2-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
CID 24734601
N-(furan-2-ylmethyl)-4-[2-[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]ethyl]piperazine-1-carboxamide
CID 24735947
1-(Furan-2-ylmethyl)-3-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea
CID 24735972
1-[4-(2-Fluorophenyl)piperazin-1-yl]-3-[furan-2-ylmethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one
CID 42809634
1-(4-Ethylpiperazin-1-YL)-3-{[(furan-2-YL)methyl][2-(thiophen-2-YL)quinazolin-4-YL]amino}propan-1-one
CID 45970212
1-[5-(1-benzofuran-2-yl)-4-(2-benzofuran-1-yl)-3-(1-benzothiophen-2-yl)-2-quinolin-2-yl-3H-pyrazol-1-yl]isoquinoline
CID 141002482
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
5-(1-Benzofuran-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-yl-6-thiophen-2-ylquinazoline
CID 141175901
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
4-[[[5-[2-[2-[4-(Furan-2-ylmethylamino)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]phenyl]-2-morpholin-4-ylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 156555363
2,5-Dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);bis(2,6-dimethyl-1,2,3,4-tetrahydronaphthalene);2,5-dimethylthiophene;bis(1,2,3,7,8-pentamethylnaphthalene);1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 157142278

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1coc(C2=C(c3ncc4ccccc4n3)N(N3CCCc4ccccc43)C(c3cccs3)(c3nccc4ccccc34)N2c2ccc3ccccc3n2)c1.
What is the InChIKey of 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?
The InChIKey is FIMRUUXXWMNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N7OS/c1-5-17-35-31(12-1)25-26-47-44(35)46(40-22-11-29-55-40)52(41-24-23-32-13-2-6-18-36(32)49-41)42(39-21-10-28-54-39)43(45-48-30-34-15-3-7-19-37(34)50-45)53(46)51-27-9-16-33-14-4-8-20-38(33)51/h1-8,10-15,17-26,28-30H,9,16,27H2.
What are the key properties of 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?
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 has a molecular weight of 731.89 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141025455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).