2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline

C44H36N4 — CID 58652112

IUPAC2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline
SMILESc1ccc2nc(C3CC(c4ccc5ccccc5n4)CC(c4ccc5ccccc5n4)CC(c4ccc5ccccc5n4)C3)ccc2c1
InChIInChI=1S/C44H36N4/c1-5-13-37-29(9-1)17-21-41(45-37)33-25-34(42-22-18-30-10-2-6-14-38(30)46-42)27-36(44-24-20-32-12-4-8-16-40(32)48-44)28-35(26-33)43-23-19-31-11-3-7-15-39(31)47-43/h1-24,33-36H,25-28H2
InChIKeyQCZLOQYMVAQHOX-UHFFFAOYSA-N
MW620.80 g/mol
LogP10.89
Rot. Bonds4

About 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline

2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline (PubChem CID 58652112) has the molecular formula C44H36N4 and a molecular weight of 620.80 g/mol. Its IUPAC name is 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline.

Molecular Properties

Compound Name2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline
PubChem CID58652112
Molecular FormulaC44H36N4
Molecular Weight620.80 g/mol
Exact Mass620.29
IUPAC Name2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline
SMILESc1ccc2nc(C3CC(c4ccc5ccccc5n4)CC(c4ccc5ccccc5n4)CC(c4ccc5ccccc5n4)C3)ccc2c1
InChIInChI=1S/C44H36N4/c1-5-13-37-29(9-1)17-21-41(45-37)33-25-34(42-22-18-30-10-2-6-14-38(30)46-42)27-36(44-24-20-32-12-4-8-16-40(32)48-44)28-35(26-33)43-23-19-31-11-3-7-15-39(31)47-43/h1-24,33-36H,25-28H2
InChIKeyQCZLOQYMVAQHOX-UHFFFAOYSA-N
XLogP10.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)quinoline;dihydrochloride
CID 71302282
2-[(2R)-aziridin-2-yl]quinoline
CID 55263271
2-(2-azaspiro[3.5]nonan-7-yl)quinoline
CID 175711459
2-(azetidin-2-yl)quinoline
CID 55292668
2-(3-methyloxiran-2-yl)quinoline
CID 10330043
2-cyclopent-2-en-1-ylquinoline
CID 68564738
2-[1-(3-chloropyrazin-2-yl)azetidin-3-yl]quinoline
CID 58548445
2-(thiolan-2-yl)quinoline
CID 13043972
2-(8-tricyclo[5.2.1.02,6]decanyl)quinoline
CID 13186802
2-(1,2,3,4-tetrahydrochrysen-4-yl)quinoline
CID 174315423
(4S)-4-quinolin-2-ylimidazolidin-2-one
CID 171252662
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
CID 122214686

Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline?
The IUPAC name of 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline (CID 58652112) is 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline.
What is the SMILES notation for 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline?
The canonical SMILES for 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline is c1ccc2nc(C3CC(c4ccc5ccccc5n4)CC(c4ccc5ccccc5n4)CC(c4ccc5ccccc5n4)C3)ccc2c1.
What is the InChIKey of 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline?
The InChIKey is QCZLOQYMVAQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N4/c1-5-13-37-29(9-1)17-21-41(45-37)33-25-34(42-22-18-30-10-2-6-14-38(30)46-42)27-36(44-24-20-32-12-4-8-16-40(32)48-44)28-35(26-33)43-23-19-31-11-3-7-15-39(31)47-43/h1-24,33-36H,25-28H2.
What are the key properties of 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline?
2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline has a molecular weight of 620.80 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7-tri(quinolin-2-yl)cyclooctyl]quinoline is sourced from PubChem (CID 58652112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).