2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid

C28H25ClFNO5 — CID 21014258

IUPAC2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3cccc(F)c3n2)cc1)C(=O)O
InChIInChI=1S/C28H25ClFNO5/c1-2-5-25(28(32)33)36-27-19(7-3-8-23(27)29)16-34-21-12-14-22(15-13-21)35-17-20-11-10-18-6-4-9-24(30)26(18)31-20/h3-4,6-15,25H,2,5,16-17H2,1H3,(H,32,33)
InChIKeyGKOKBFXZUUYFCJ-UHFFFAOYSA-N
MW509.96 g/mol
LogP6.82
Rot. Bonds11

About 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid

2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid (PubChem CID 21014258) has the molecular formula C28H25ClFNO5 and a molecular weight of 509.96 g/mol. Its IUPAC name is 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid
PubChem CID21014258
Molecular FormulaC28H25ClFNO5
Molecular Weight509.96 g/mol
Exact Mass509.14
IUPAC Name2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3cccc(F)c3n2)cc1)C(=O)O
InChIInChI=1S/C28H25ClFNO5/c1-2-5-25(28(32)33)36-27-19(7-3-8-23(27)29)16-34-21-12-14-22(15-13-21)35-17-20-11-10-18-6-4-9-24(30)26(18)31-20/h3-4,6-15,25H,2,5,16-17H2,1H3,(H,32,33)
InChIKeyGKOKBFXZUUYFCJ-UHFFFAOYSA-N
XLogP6.82
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.96
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic 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-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid?
The IUPAC name of 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid (CID 21014258) is 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid?
The canonical SMILES for 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid is CCCC(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3cccc(F)c3n2)cc1)C(=O)O.
What is the InChIKey of 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid?
The InChIKey is GKOKBFXZUUYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFNO5/c1-2-5-25(28(32)33)36-27-19(7-3-8-23(27)29)16-34-21-12-14-22(15-13-21)35-17-20-11-10-18-6-4-9-24(30)26(18)31-20/h3-4,6-15,25H,2,5,16-17H2,1H3,(H,32,33).
What are the key properties of 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid?
2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid has a molecular weight of 509.96 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid is sourced from PubChem (CID 21014258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).