2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid

C23H17ClN2O4 — CID 10645827

IUPAC2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ccc(Oc3cnc4ccc(Cl)cc4n3)cc2)cc1)C(=O)O
InChIInChI=1S/C23H17ClN2O4/c1-14(23(27)28)29-18-7-2-15(3-8-18)16-4-9-19(10-5-16)30-22-13-25-20-11-6-17(24)12-21(20)26-22/h2-14H,1H3,(H,27,28)
InChIKeyYJJRBYVKYCBTCT-UHFFFAOYSA-N
MW420.85 g/mol
LogP5.59
Rot. Bonds6

About 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid

2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid (PubChem CID 10645827) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid
PubChem CID10645827
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ccc(Oc3cnc4ccc(Cl)cc4n3)cc2)cc1)C(=O)O
InChIInChI=1S/C23H17ClN2O4/c1-14(23(27)28)29-18-7-2-15(3-8-18)16-4-9-19(10-5-16)30-22-13-25-20-11-6-17(24)12-21(20)26-22/h2-14H,1H3,(H,27,28)
InChIKeyYJJRBYVKYCBTCT-UHFFFAOYSA-N
XLogP5.59
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.85
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic 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-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid (CID 10645827) is 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid is CC(Oc1ccc(-c2ccc(Oc3cnc4ccc(Cl)cc4n3)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid?
The InChIKey is YJJRBYVKYCBTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-14(23(27)28)29-18-7-2-15(3-8-18)16-4-9-19(10-5-16)30-22-13-25-20-11-6-17(24)12-21(20)26-22/h2-14H,1H3,(H,27,28).
What are the key properties of 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid?
2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid has a molecular weight of 420.85 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(7-chloroquinoxalin-2-yl)oxyphenyl]phenoxy]propanoic acid is sourced from PubChem (CID 10645827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).