2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid

C34H26N2O4 — CID 10506295

IUPAC2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C34H26N2O4/c37-34(38)33(25-11-17-29(18-12-25)39-21-27-15-9-23-5-1-3-7-31(23)35-27)26-13-19-30(20-14-26)40-22-28-16-10-24-6-2-4-8-32(24)36-28/h1-20,33H,21-22H2,(H,37,38)
InChIKeyLTRHXQYRVVBCAQ-UHFFFAOYSA-N
MW526.59 g/mol
LogP7.16
Rot. Bonds9

About 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid

2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid (PubChem CID 10506295) has the molecular formula C34H26N2O4 and a molecular weight of 526.59 g/mol. Its IUPAC name is 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
PubChem CID10506295
Molecular FormulaC34H26N2O4
Molecular Weight526.59 g/mol
Exact Mass526.19
IUPAC Name2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C34H26N2O4/c37-34(38)33(25-11-17-29(18-12-25)39-21-27-15-9-23-5-1-3-7-31(23)35-27)26-13-19-30(20-14-26)40-22-28-16-10-24-6-2-4-8-32(24)36-28/h1-20,33H,21-22H2,(H,37,38)
InChIKeyLTRHXQYRVVBCAQ-UHFFFAOYSA-N
XLogP7.16
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid (CID 10506295) is 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid is O=C(O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
The InChIKey is LTRHXQYRVVBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O4/c37-34(38)33(25-11-17-29(18-12-25)39-21-27-15-9-23-5-1-3-7-31(23)35-27)26-13-19-30(20-14-26)40-22-28-16-10-24-6-2-4-8-32(24)36-28/h1-20,33H,21-22H2,(H,37,38).
What are the key properties of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid has a molecular weight of 526.59 g/mol, XLogP of 7.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 10506295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).