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

C37H34N2O2 — CID 57064135

IUPAC2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline
SMILESCCCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C37H34N2O2/c1-3-24-37(2,29-14-20-33(21-15-29)40-25-31-18-12-27-8-4-6-10-35(27)38-31)30-16-22-34(23-17-30)41-26-32-19-13-28-9-5-7-11-36(28)39-32/h4-23H,3,24-26H2,1-2H3
InChIKeyIKXRHAAJGAVDNS-UHFFFAOYSA-N
MW538.69 g/mol
LogP9.05
Rot. Bonds10

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

2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline (PubChem CID 57064135) has the molecular formula C37H34N2O2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline
PubChem CID57064135
Molecular FormulaC37H34N2O2
Molecular Weight538.69 g/mol
Exact Mass538.26
IUPAC Name2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline
SMILESCCCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C37H34N2O2/c1-3-24-37(2,29-14-20-33(21-15-29)40-25-31-18-12-27-8-4-6-10-35(27)38-31)30-16-22-34(23-17-30)41-26-32-19-13-28-9-5-7-11-36(28)39-32/h4-23H,3,24-26H2,1-2H3
InChIKeyIKXRHAAJGAVDNS-UHFFFAOYSA-N
XLogP9.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-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]pentan-2-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline (CID 57064135) is 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline is CCCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline?
The InChIKey is IKXRHAAJGAVDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O2/c1-3-24-37(2,29-14-20-33(21-15-29)40-25-31-18-12-27-8-4-6-10-35(27)38-31)30-16-22-34(23-17-30)41-26-32-19-13-28-9-5-7-11-36(28)39-32/h4-23H,3,24-26H2,1-2H3.
What are the key properties of 2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline?
2-[[4-[2-[4-(quinolin-2-ylmethoxy)phenyl]pentan-2-yl]phenoxy]methyl]quinoline has a molecular weight of 538.69 g/mol, XLogP of 9.05, 10 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]pentan-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 57064135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).