5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline

C46H30Cl4N4O4 — CID 101429303

IUPAC5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
SMILESClc1ccc(OCc2cc(COc3ccc(Cl)c4cccnc34)c(COc3ccc(Cl)c4cccnc34)cc2COc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C46H30Cl4N4O4/c47-35-9-13-39(43-31(35)5-1-17-51-43)55-23-27-21-29(25-57-41-15-11-37(49)33-7-3-19-53-45(33)41)30(26-58-42-16-12-38(50)34-8-4-20-54-46(34)42)22-28(27)24-56-40-14-10-36(48)32-6-2-18-52-44(32)40/h1-22H,23-26H2
InChIKeyFOJREYCTXNVCIG-UHFFFAOYSA-N
MW844.58 g/mol
LogP12.81
Rot. Bonds12

About 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline

5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline (PubChem CID 101429303) has the molecular formula C46H30Cl4N4O4 and a molecular weight of 844.58 g/mol. Its IUPAC name is 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
PubChem CID101429303
Molecular FormulaC46H30Cl4N4O4
Molecular Weight844.58 g/mol
Exact Mass842.10
IUPAC Name5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
SMILESClc1ccc(OCc2cc(COc3ccc(Cl)c4cccnc34)c(COc3ccc(Cl)c4cccnc34)cc2COc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C46H30Cl4N4O4/c47-35-9-13-39(43-31(35)5-1-17-51-43)55-23-27-21-29(25-57-41-15-11-37(49)33-7-3-19-53-45(33)41)30(26-58-42-16-12-38(50)34-8-4-20-54-46(34)42)22-28(27)24-56-40-14-10-36(48)32-6-2-18-52-44(32)40/h1-22H,23-26H2
InChIKeyFOJREYCTXNVCIG-UHFFFAOYSA-N
XLogP12.81
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.58
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline with MolForge

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Related Compounds

5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
8-(Benzyloxy)-5-Chloroquinoline
CID 18968588
5-Chloro-8-[4-(4-chloro-benzyl)-morpholin-2-ylmethoxy]-quinoline
CID 11750030
8-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]quinoline
CID 2282895
1,1-Bis-[(5-chloro-8-quinolyl)oxy]methane
CID 25267859
5-Chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
CID 71522119
8-[[3-(Quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
CID 12090678
5-Chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
CID 71522118
8-[[3-(Quinolin-8-yloxymethyl)naphthalen-2-yl]methoxy]quinoline
CID 76309065
2,3-Bis[(5-chloroquinolin-8-yl)oxymethyl]quinoxaline
CID 76309066
5-Chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
CID 76327210
5-Chloro-8-[[4-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
CID 76327211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
The IUPAC name of 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline (CID 101429303) is 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
The canonical SMILES for 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline is Clc1ccc(OCc2cc(COc3ccc(Cl)c4cccnc34)c(COc3ccc(Cl)c4cccnc34)cc2COc2ccc(Cl)c3cccnc23)c2ncccc12.
What is the InChIKey of 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
The InChIKey is FOJREYCTXNVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30Cl4N4O4/c47-35-9-13-39(43-31(35)5-1-17-51-43)55-23-27-21-29(25-57-41-15-11-37(49)33-7-3-19-53-45(33)41)30(26-58-42-16-12-38(50)34-8-4-20-54-46(34)42)22-28(27)24-56-40-14-10-36(48)32-6-2-18-52-44(32)40/h1-22H,23-26H2.
What are the key properties of 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline has a molecular weight of 844.58 g/mol, XLogP of 12.81, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline is sourced from PubChem (CID 101429303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).