ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride

C23H29ClN2O3 — CID 2882769

IUPACethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CCCN(C)C.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-5-28-23(26)22-21(17-10-7-6-8-11-17)19-16-18(27-4)12-13-20(19)25(22)15-9-14-24(2)3;/h6-8,10-13,16H,5,9,14-15H2,1-4H3;1H
InChIKeyGGSUVLFFLPDORH-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.87
Rot. Bonds8

About ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride

ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride (PubChem CID 2882769) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride
PubChem CID2882769
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Nameethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CCCN(C)C.Cl
InChIInChI=1S/C23H28N2O3.ClH/c1-5-28-23(26)22-21(17-10-7-6-8-11-17)19-16-18(27-4)12-13-20(19)25(22)15-9-14-24(2)3;/h6-8,10-13,16H,5,9,14-15H2,1-4H3;1H
InChIKeyGGSUVLFFLPDORH-UHFFFAOYSA-N
XLogP4.87
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride (CID 2882769) is ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride is CCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CCCN(C)C.Cl.
What is the InChIKey of ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride?
The InChIKey is GGSUVLFFLPDORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.ClH/c1-5-28-23(26)22-21(17-10-7-6-8-11-17)19-16-18(27-4)12-13-20(19)25(22)15-9-14-24(2)3;/h6-8,10-13,16H,5,9,14-15H2,1-4H3;1H.
What are the key properties of ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride?
ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(dimethylamino)propyl]-5-methoxy-3-phenylindole-2-carboxylate;hydrochloride is sourced from PubChem (CID 2882769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).