methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate

C38H33NO4 — CID 10793105

IUPACmethyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
SMILESCOC(=O)CCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C38H33NO4/c1-38(24-23-37(40)41-2,31-15-21-34(22-16-31)43-35-18-12-27-7-3-4-9-29(27)25-35)30-13-19-33(20-14-30)42-26-32-17-11-28-8-5-6-10-36(28)39-32/h3-22,25H,23-24,26H2,1-2H3
InChIKeyGQHYYOUFWIUHOH-UHFFFAOYSA-N
MW567.69 g/mol
LogP9.02
Rot. Bonds10

About methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate

methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate (PubChem CID 10793105) has the molecular formula C38H33NO4 and a molecular weight of 567.69 g/mol. Its IUPAC name is methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate.

Molecular Properties

Compound Namemethyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
PubChem CID10793105
Molecular FormulaC38H33NO4
Molecular Weight567.69 g/mol
Exact Mass567.24
IUPAC Namemethyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
SMILESCOC(=O)CCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C38H33NO4/c1-38(24-23-37(40)41-2,31-15-21-34(22-16-31)43-35-18-12-27-7-3-4-9-29(27)25-35)30-13-19-33(20-14-30)42-26-32-17-11-28-8-5-6-10-36(28)39-32/h3-22,25H,23-24,26H2,1-2H3
InChIKeyGQHYYOUFWIUHOH-UHFFFAOYSA-N
XLogP9.02
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate?
The IUPAC name of methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate (CID 10793105) is methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate.
What is the SMILES notation for methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate?
The canonical SMILES for methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate is COC(=O)CCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate?
The InChIKey is GQHYYOUFWIUHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33NO4/c1-38(24-23-37(40)41-2,31-15-21-34(22-16-31)43-35-18-12-27-7-3-4-9-29(27)25-35)30-13-19-33(20-14-30)42-26-32-17-11-28-8-5-6-10-36(28)39-32/h3-22,25H,23-24,26H2,1-2H3.
What are the key properties of methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate?
methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate has a molecular weight of 567.69 g/mol, XLogP of 9.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate is sourced from PubChem (CID 10793105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).