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

C35H28N2O4 — CID 10554919

IUPAC2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C35H28N2O4/c1-35(34(38)39,26-12-18-30(19-13-26)40-22-28-16-10-24-6-2-4-8-32(24)36-28)27-14-20-31(21-15-27)41-23-29-17-11-25-7-3-5-9-33(25)37-29/h2-21H,22-23H2,1H3,(H,38,39)
InChIKeyGGMFMILUJJXVRF-UHFFFAOYSA-N
MW540.62 g/mol
LogP7.33
Rot. Bonds9

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

2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid (PubChem CID 10554919) has the molecular formula C35H28N2O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
PubChem CID10554919
Molecular FormulaC35H28N2O4
Molecular Weight540.62 g/mol
Exact Mass540.20
IUPAC Name2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C35H28N2O4/c1-35(34(38)39,26-12-18-30(19-13-26)40-22-28-16-10-24-6-2-4-8-32(24)36-28)27-14-20-31(21-15-27)41-23-29-17-11-25-7-3-5-9-33(25)37-29/h2-21H,22-23H2,1H3,(H,38,39)
InChIKeyGGMFMILUJJXVRF-UHFFFAOYSA-N
XLogP7.33
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid (CID 10554919) is 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid is CC(C(=O)O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
The InChIKey is GGMFMILUJJXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O4/c1-35(34(38)39,26-12-18-30(19-13-26)40-22-28-16-10-24-6-2-4-8-32(24)36-28)27-14-20-31(21-15-27)41-23-29-17-11-25-7-3-5-9-33(25)37-29/h2-21H,22-23H2,1H3,(H,38,39).
What are the key properties of 2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid?
2,2-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid has a molecular weight of 540.62 g/mol, XLogP of 7.33, 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]propanoic acid is sourced from PubChem (CID 10554919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).