4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid

C19H14N2O3 — CID 509481

IUPAC4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C19H14N2O3/c22-19(23)13-7-9-14(10-8-13)24-12-16-18-6-3-11-21(18)17-5-2-1-4-15(17)20-16/h1-11H,12H2,(H,22,23)
InChIKeyBFLFNYCGSBXTMV-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.76
Rot. Bonds4

About 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid

4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid (PubChem CID 509481) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid
PubChem CID509481
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C19H14N2O3/c22-19(23)13-7-9-14(10-8-13)24-12-16-18-6-3-11-21(18)17-5-2-1-4-15(17)20-16/h1-11H,12H2,(H,22,23)
InChIKeyBFLFNYCGSBXTMV-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid?
The IUPAC name of 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid (CID 509481) is 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid?
The canonical SMILES for 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid is O=C(O)c1ccc(OCc2nc3ccccc3n3cccc23)cc1.
What is the InChIKey of 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid?
The InChIKey is BFLFNYCGSBXTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(23)13-7-9-14(10-8-13)24-12-16-18-6-3-11-21(18)17-5-2-1-4-15(17)20-16/h1-11H,12H2,(H,22,23).
What are the key properties of 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid?
4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid is sourced from PubChem (CID 509481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).