(5-aminoindol-1-yl) 2-phenylacetate

C16H14N2O2 — CID 68735166

IUPAC(5-aminoindol-1-yl) 2-phenylacetate
SMILESNc1ccc2c(ccn2OC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H14N2O2/c17-14-6-7-15-13(11-14)8-9-18(15)20-16(19)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2
InChIKeyIFRQKPYSZVFTSF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds3

About (5-aminoindol-1-yl) 2-phenylacetate

(5-aminoindol-1-yl) 2-phenylacetate (PubChem CID 68735166) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (5-aminoindol-1-yl) 2-phenylacetate.

Molecular Properties

Compound Name(5-aminoindol-1-yl) 2-phenylacetate
PubChem CID68735166
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(5-aminoindol-1-yl) 2-phenylacetate
SMILESNc1ccc2c(ccn2OC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H14N2O2/c17-14-6-7-15-13(11-14)8-9-18(15)20-16(19)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2
InChIKeyIFRQKPYSZVFTSF-UHFFFAOYSA-N
XLogP2.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-aminoindol-1-yl) 2-phenylacetate?
The IUPAC name of (5-aminoindol-1-yl) 2-phenylacetate (CID 68735166) is (5-aminoindol-1-yl) 2-phenylacetate.
What is the SMILES notation for (5-aminoindol-1-yl) 2-phenylacetate?
The canonical SMILES for (5-aminoindol-1-yl) 2-phenylacetate is Nc1ccc2c(ccn2OC(=O)Cc2ccccc2)c1.
What is the InChIKey of (5-aminoindol-1-yl) 2-phenylacetate?
The InChIKey is IFRQKPYSZVFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-14-6-7-15-13(11-14)8-9-18(15)20-16(19)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2.
What are the key properties of (5-aminoindol-1-yl) 2-phenylacetate?
(5-aminoindol-1-yl) 2-phenylacetate has a molecular weight of 266.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminoindol-1-yl) 2-phenylacetate is sourced from PubChem (CID 68735166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).