methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate

C15H20N2O2 — CID 818345

IUPACmethyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate
SMILESCCN(CC)Cc1c[nH]c2c(C(=O)OC)cccc12
InChIInChI=1S/C15H20N2O2/c1-4-17(5-2)10-11-9-16-14-12(11)7-6-8-13(14)15(18)19-3/h6-9,16H,4-5,10H2,1-3H3
InChIKeyWPAWKMGBMKMQMX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds5

About methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate

methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate (PubChem CID 818345) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate
PubChem CID818345
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate
SMILESCCN(CC)Cc1c[nH]c2c(C(=O)OC)cccc12
InChIInChI=1S/C15H20N2O2/c1-4-17(5-2)10-11-9-16-14-12(11)7-6-8-13(14)15(18)19-3/h6-9,16H,4-5,10H2,1-3H3
InChIKeyWPAWKMGBMKMQMX-UHFFFAOYSA-N
XLogP2.80
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Carboxylic Acid
CID 69867
Tropisetron
CID 656665
Tropisetron hydrochloride
CID 656664
methyl 1H-indole-5-carboxylate
CID 2737635
1H-Indole-7-carboxylic acid
CID 74281
Methyl indole-3-carboxylate
CID 589098
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
methyl 1H-indole-4-carboxylate
CID 2733668
SB 203186
CID 3272300
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
Ethyl 2-methyl-4-phenyl-1h-pyrrole-3-carboxylate
CID 230431
Methyl indole-6-carboxylate
CID 639844

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate?
The IUPAC name of methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate (CID 818345) is methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate?
The canonical SMILES for methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate is CCN(CC)Cc1c[nH]c2c(C(=O)OC)cccc12.
What is the InChIKey of methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate?
The InChIKey is WPAWKMGBMKMQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17(5-2)10-11-9-16-14-12(11)7-6-8-13(14)15(18)19-3/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate?
methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylaminomethyl)-1H-indole-7-carboxylate is sourced from PubChem (CID 818345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).