8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline

C46H34N4O4 — CID 101381772

IUPAC8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
SMILESc1cnc2c(OCc3cc(COc4cccc5cccnc45)c(COc4cccc5cccnc45)cc3COc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C46H34N4O4/c1-9-31-13-5-21-47-43(31)39(17-1)51-27-35-25-37(29-53-41-19-3-11-33-15-7-23-49-45(33)41)38(30-54-42-20-4-12-34-16-8-24-50-46(34)42)26-36(35)28-52-40-18-2-10-32-14-6-22-48-44(32)40/h1-26H,27-30H2
InChIKeyXUACOKHYMCDHAC-UHFFFAOYSA-N
MW706.80 g/mol
LogP10.20
Rot. Bonds12

About 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline

8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline (PubChem CID 101381772) has the molecular formula C46H34N4O4 and a molecular weight of 706.80 g/mol. Its IUPAC name is 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
PubChem CID101381772
Molecular FormulaC46H34N4O4
Molecular Weight706.80 g/mol
Exact Mass706.26
IUPAC Name8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
SMILESc1cnc2c(OCc3cc(COc4cccc5cccnc45)c(COc4cccc5cccnc45)cc3COc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C46H34N4O4/c1-9-31-13-5-21-47-43(31)39(17-1)51-27-35-25-37(29-53-41-19-3-11-33-15-7-23-49-45(33)41)38(30-54-42-20-4-12-34-16-8-24-50-46(34)42)26-36(35)28-52-40-18-2-10-32-14-6-22-48-44(32)40/h1-26H,27-30H2
InChIKeyXUACOKHYMCDHAC-UHFFFAOYSA-N
XLogP10.20
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.80
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline with MolForge

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Related Compounds

6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
8-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 20595541
8-[[1-[[3,5-Diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methoxy]quinoline
CID 145993203
8-[3-(2,3-Dimethylphenoxy)propoxy]quinoline
CID 2283202
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
Kryptofix 5
CID 93310
1,4-Bis(dihydroquinidine)phthalazine
CID 11217202
8-[3-(3,4-Dimethylphenoxy)propoxy]quinoline
CID 2291961
8-[3-(2,3,5-Trimethylphenoxy)propoxy]quinoline
CID 2899461
2-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)quinoline
CID 44447713
7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532545
N-[2-[7-(quinolin-4-ylamino)heptoxy]phenyl]acridin-9-amine;hydrate;hydrochloride
CID 90680015

Frequently Asked Questions

What is the IUPAC name of 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The IUPAC name of 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline (CID 101381772) is 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline.
What is the SMILES notation for 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The canonical SMILES for 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline is c1cnc2c(OCc3cc(COc4cccc5cccnc45)c(COc4cccc5cccnc45)cc3COc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
The InChIKey is XUACOKHYMCDHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O4/c1-9-31-13-5-21-47-43(31)39(17-1)51-27-35-25-37(29-53-41-19-3-11-33-15-7-23-49-45(33)41)38(30-54-42-20-4-12-34-16-8-24-50-46(34)42)26-36(35)28-52-40-18-2-10-32-14-6-22-48-44(32)40/h1-26H,27-30H2.
What are the key properties of 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline?
8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline has a molecular weight of 706.80 g/mol, XLogP of 10.20, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2,4,5-tris(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline is sourced from PubChem (CID 101381772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).