2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline

C36H32N2O2 — CID 57145703

IUPAC2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline
SMILESCCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C36H32N2O2/c1-3-36(2,28-14-20-32(21-15-28)39-24-30-18-12-26-8-4-6-10-34(26)37-30)29-16-22-33(23-17-29)40-25-31-19-13-27-9-5-7-11-35(27)38-31/h4-23H,3,24-25H2,1-2H3
InChIKeyZUOUPPVKAVCVOH-UHFFFAOYSA-N
MW524.66 g/mol
LogP8.66
Rot. Bonds9

About 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline

2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline (PubChem CID 57145703) has the molecular formula C36H32N2O2 and a molecular weight of 524.66 g/mol. Its IUPAC name is 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline
PubChem CID57145703
Molecular FormulaC36H32N2O2
Molecular Weight524.66 g/mol
Exact Mass524.25
IUPAC Name2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline
SMILESCCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C36H32N2O2/c1-3-36(2,28-14-20-32(21-15-28)39-24-30-18-12-26-8-4-6-10-34(26)37-30)29-16-22-33(23-17-29)40-25-31-19-13-27-9-5-7-11-35(27)38-31/h4-23H,3,24-25H2,1-2H3
InChIKeyZUOUPPVKAVCVOH-UHFFFAOYSA-N
XLogP8.66
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
A-93178
CID 101018054
Abt-080
CID 9850972
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
N-(4-(3-(piperidin-1-yl)propoxy)phenethyl)-5,6,7,8-tetrahydroacridin-9-amine
CID 11004759
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
CL-246738 free base
CID 133712
8-(Benzyloxy)-2-methylquinoline
CID 737473
3-(4-Methoxyphenyl)-3-(2-methylquinolin-4-yl)prop-2-enenitrile
CID 137646340
4-Methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline iodide
CID 9550335
9-Phenoxyacridine
CID 100640
WY 47288
CID 176149

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline (CID 57145703) is 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline is CCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline?
The InChIKey is ZUOUPPVKAVCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O2/c1-3-36(2,28-14-20-32(21-15-28)39-24-30-18-12-26-8-4-6-10-34(26)37-30)29-16-22-33(23-17-29)40-25-31-19-13-27-9-5-7-11-35(27)38-31/h4-23H,3,24-25H2,1-2H3.
What are the key properties of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline?
2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline has a molecular weight of 524.66 g/mol, XLogP of 8.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]butan-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 57145703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).