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

C24H23ClN2O3 — CID 45264756

IUPACethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride
SMILESCCOC(=O)CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C24H22N2O3.ClH/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;1H
InChIKeyHJCHVOMTPMLUNX-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.62
Rot. Bonds6

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

ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride (PubChem CID 45264756) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride
PubChem CID45264756
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Nameethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride
SMILESCCOC(=O)CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C24H22N2O3.ClH/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;1H
InChIKeyHJCHVOMTPMLUNX-UHFFFAOYSA-N
XLogP4.62
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.62
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;hydrochloride?
The IUPAC name of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride (CID 45264756) is ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride is CCOC(=O)CC1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride?
The InChIKey is HJCHVOMTPMLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3.ClH/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;1H.
What are the key properties of ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride?
ethyl 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetate;hydrochloride has a molecular weight of 422.91 g/mol, XLogP of 4.62, 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;hydrochloride is sourced from PubChem (CID 45264756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).