ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate

C24H22N2O3 — CID 10475244

IUPACethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate
SMILESCCOC(=O)CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3/c1-2-29-22(27)17-24(16-18-12-14-25-15-13-18)20-10-6-7-11-21(20)26(23(24)28)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3
InChIKeyZWEAWVBDWMYBOG-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.19
Rot. Bonds6

About ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate

ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate (PubChem CID 10475244) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate
PubChem CID10475244
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Nameethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate
SMILESCCOC(=O)CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O3/c1-2-29-22(27)17-24(16-18-12-14-25-15-13-18)20-10-6-7-11-21(20)26(23(24)28)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3
InChIKeyZWEAWVBDWMYBOG-UHFFFAOYSA-N
XLogP4.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate (CID 10475244) is ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate is CCOC(=O)CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate?
The InChIKey is ZWEAWVBDWMYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-29-22(27)17-24(16-18-12-14-25-15-13-18)20-10-6-7-11-21(20)26(23(24)28)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3.
What are the key properties of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate?
ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate has a molecular weight of 386.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate is sourced from PubChem (CID 10475244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).