1,2,3,4-tetrahydroquinolin-4-yl propanoate

C12H15NO2 — CID 70393820

IUPAC1,2,3,4-tetrahydroquinolin-4-yl propanoate
SMILESCCC(=O)OC1CCNc2ccccc21
InChIInChI=1S/C12H15NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h3-6,11,13H,2,7-8H2,1H3
InChIKeyKCEIIRPWGAEPJR-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.50
Rot. Bonds2

About 1,2,3,4-tetrahydroquinolin-4-yl propanoate

1,2,3,4-tetrahydroquinolin-4-yl propanoate (PubChem CID 70393820) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-4-yl propanoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-4-yl propanoate
PubChem CID70393820
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1,2,3,4-tetrahydroquinolin-4-yl propanoate
SMILESCCC(=O)OC1CCNc2ccccc21
InChIInChI=1S/C12H15NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h3-6,11,13H,2,7-8H2,1H3
InChIKeyKCEIIRPWGAEPJR-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
2,3-dihydro-1H-indol-3-yl carbamate
CID 91259921
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598150
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
CID 165439324
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-4-yl propanoate?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-4-yl propanoate (CID 70393820) is 1,2,3,4-tetrahydroquinolin-4-yl propanoate.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-4-yl propanoate?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-4-yl propanoate is CCC(=O)OC1CCNc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-4-yl propanoate?
The InChIKey is KCEIIRPWGAEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-12(14)15-11-7-8-13-10-6-4-3-5-9(10)11/h3-6,11,13H,2,7-8H2,1H3.
What are the key properties of 1,2,3,4-tetrahydroquinolin-4-yl propanoate?
1,2,3,4-tetrahydroquinolin-4-yl propanoate has a molecular weight of 205.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-4-yl propanoate is sourced from PubChem (CID 70393820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).