methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride

C16H22Cl2N2O3 — CID 3060291

IUPACmethyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride
SMILESCCOc1c(C(=O)OC)n(CCN(C)C)c2ccc(Cl)cc12.Cl
InChIInChI=1S/C16H21ClN2O3.ClH/c1-5-22-15-12-10-11(17)6-7-13(12)19(9-8-18(2)3)14(15)16(20)21-4;/h6-7,10H,5,8-9H2,1-4H3;1H
InChIKeyGIJRBRBXONVCHU-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.46
Rot. Bonds6

About methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride

methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride (PubChem CID 3060291) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride
PubChem CID3060291
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Namemethyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride
SMILESCCOc1c(C(=O)OC)n(CCN(C)C)c2ccc(Cl)cc12.Cl
InChIInChI=1S/C16H21ClN2O3.ClH/c1-5-22-15-12-10-11(17)6-7-13(12)19(9-8-18(2)3)14(15)16(20)21-4;/h6-7,10H,5,8-9H2,1-4H3;1H
InChIKeyGIJRBRBXONVCHU-UHFFFAOYSA-N
XLogP3.46
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate
CID 57081064
ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;4-methylbenzenesulfonic acid
CID 3060295
methyl 6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carboxylate
CID 68504879
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
CID 146173906
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-[4-(2-methoxyethoxymethoxy)phenoxy]indole-2-carboxylate
CID 146173905
bis[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylmethoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158744648
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
CID 162648090
ethyl 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carboxylate
CID 23543967
methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate
CID 10572560
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158142772
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate
CID 75524036

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride (CID 3060291) is methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride is CCOc1c(C(=O)OC)n(CCN(C)C)c2ccc(Cl)cc12.Cl.
What is the InChIKey of methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride?
The InChIKey is GIJRBRBXONVCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3.ClH/c1-5-22-15-12-10-11(17)6-7-13(12)19(9-8-18(2)3)14(15)16(20)21-4;/h6-7,10H,5,8-9H2,1-4H3;1H.
What are the key properties of methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride?
methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride has a molecular weight of 361.27 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride is sourced from PubChem (CID 3060291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).