ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate

C14H19NO2 — CID 23003903

IUPACethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)8-6-11-5-7-13-12(10-11)4-3-9-15-13/h5,7,10,15H,2-4,6,8-9H2,1H3
InChIKeyPTPLJUHTKXRSOE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds4

About ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate

ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate (PubChem CID 23003903) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
PubChem CID23003903
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)8-6-11-5-7-13-12(10-11)4-3-9-15-13/h5,7,10,15H,2-4,6,8-9H2,1H3
InChIKeyPTPLJUHTKXRSOE-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
ethyl 3-[methyl-[2-[2-[2-(1,2,3,4-tetrahydroquinolin-6-yloxy)ethoxy]ethoxy]ethyl]amino]propanoate
CID 141436857
ethyl 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368737
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
CID 57318910
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
1,2,3,4-tetrahydroquinolin-6-yl hexanoate
CID 23036154
ethyl 3-(8-formyl-8-methyl-6,7-dihydro-5H-naphthalen-2-yl)propanoate
CID 57209384
ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate
CID 114463259
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate?
The IUPAC name of ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate (CID 23003903) is ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate.
What is the SMILES notation for ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate?
The canonical SMILES for ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate is CCOC(=O)CCc1ccc2c(c1)CCCN2.
What is the InChIKey of ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate?
The InChIKey is PTPLJUHTKXRSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)8-6-11-5-7-13-12(10-11)4-3-9-15-13/h5,7,10,15H,2-4,6,8-9H2,1H3.
What are the key properties of ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate?
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate is sourced from PubChem (CID 23003903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).