2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline

C40H28N6O — CID 141084050

IUPAC2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline
SMILESc1coc(-c2c(-c3ccc4ccccc4n3)cc3[nH]c(-c4cc5ccccc5[nH]4)c(N4CCc5ccccc54)c3c2-c2ncc[nH]2)c1
InChIInChI=1S/C40H28N6O/c1-4-11-28-24(8-1)15-16-30(43-28)27-23-31-36(37(40-41-18-19-42-40)35(27)34-14-7-21-47-34)39(46-20-17-25-9-3-6-13-33(25)46)38(45-31)32-22-26-10-2-5-12-29(26)44-32/h1-16,18-19,21-23,44-45H,17,20H2,(H,41,42)
InChIKeyOUPUXRJNVFVVKL-UHFFFAOYSA-N
MW608.71 g/mol
LogP9.88
Rot. Bonds5

About 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline

2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline (PubChem CID 141084050) has the molecular formula C40H28N6O and a molecular weight of 608.71 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline
PubChem CID141084050
Molecular FormulaC40H28N6O
Molecular Weight608.71 g/mol
Exact Mass608.23
IUPAC Name2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline
SMILESc1coc(-c2c(-c3ccc4ccccc4n3)cc3[nH]c(-c4cc5ccccc5[nH]4)c(N4CCc5ccccc54)c3c2-c2ncc[nH]2)c1
InChIInChI=1S/C40H28N6O/c1-4-11-28-24(8-1)15-16-30(43-28)27-23-31-36(37(40-41-18-19-42-40)35(27)34-14-7-21-47-34)39(46-20-17-25-9-3-6-13-33(25)46)38(45-31)32-22-26-10-2-5-12-29(26)44-32/h1-16,18-19,21-23,44-45H,17,20H2,(H,41,42)
InChIKeyOUPUXRJNVFVVKL-UHFFFAOYSA-N
XLogP9.88
TPSA89.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.71
LogP ≤ 59.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline with MolForge

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Related Compounds

N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5164621
N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine
CID 44968248
N-(1H-imidazol-2-ylmethyl)-6-(2-methylfuran-3-yl)quinazolin-4-amine
CID 44968254
7-(furan-3-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136273272
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643019
(3R)-4-[6-(furan-3-yl)-2-(1H-indol-4-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168283618
6-(furan-3-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
CID 44968262
Distel
CID 132608
2-[4-[8-(1-Benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
CID 11327656
6-N-[(3-ethoxy-5-ethyl-2-fluorophenyl)-[5-[2-(furan-3-yl)phenyl]-1H-imidazol-2-yl]methyl]isoquinoline-1,6-diamine
CID 57803787
4-(furan-3-yl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-benzimidazole
CID 57835138
9-[2-(2,2-dimethylpropylamino)ethyl]-2-fluoro-8-[[6-(furan-2-yl)-1H-indol-5-yl]methyl]purin-6-amine
CID 67115876

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline?
The IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline (CID 141084050) is 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline.
What is the SMILES notation for 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline?
The canonical SMILES for 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline is c1coc(-c2c(-c3ccc4ccccc4n3)cc3[nH]c(-c4cc5ccccc5[nH]4)c(N4CCc5ccccc54)c3c2-c2ncc[nH]2)c1.
What is the InChIKey of 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline?
The InChIKey is OUPUXRJNVFVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N6O/c1-4-11-28-24(8-1)15-16-30(43-28)27-23-31-36(37(40-41-18-19-42-40)35(27)34-14-7-21-47-34)39(46-20-17-25-9-3-6-13-33(25)46)38(45-31)32-22-26-10-2-5-12-29(26)44-32/h1-16,18-19,21-23,44-45H,17,20H2,(H,41,42).
What are the key properties of 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline?
2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline has a molecular weight of 608.71 g/mol, XLogP of 9.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindol-1-yl)-5-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-1H-indol-6-yl]quinoline is sourced from PubChem (CID 141084050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).