2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid

C18H14ClNO4 — CID 3767860

IUPAC2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1)C(=O)O
InChIInChI=1S/C18H14ClNO4/c1-11(18(21)22)23-14-5-7-15(8-6-14)24-17-9-3-12-2-4-13(19)10-16(12)20-17/h2-11H,1H3,(H,21,22)
InChIKeyIQNYPEGLBLCEAY-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.53
Rot. Bonds5

About 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid

2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 3767860) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
PubChem CID3767860
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1)C(=O)O
InChIInChI=1S/C18H14ClNO4/c1-11(18(21)22)23-14-5-7-15(8-6-14)24-17-9-3-12-2-4-13(19)10-16(12)20-17/h2-11H,1H3,(H,21,22)
InChIKeyIQNYPEGLBLCEAY-UHFFFAOYSA-N
XLogP4.53
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid (CID 3767860) is 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid is CC(Oc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is IQNYPEGLBLCEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-11(18(21)22)23-14-5-7-15(8-6-14)24-17-9-3-12-2-4-13(19)10-16(12)20-17/h2-11H,1H3,(H,21,22).
What are the key properties of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 343.77 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 3767860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).