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

C16H23NO2 — CID 165473127

IUPACethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate
SMILESCCCc1ccc2c(c1)C(CC(=O)OCC)CCN2
InChIInChI=1S/C16H23NO2/c1-3-5-12-6-7-15-14(10-12)13(8-9-17-15)11-16(18)19-4-2/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyQWBYXVXJQPFAQO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.49
Rot. Bonds5

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

ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate (PubChem CID 165473127) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate
PubChem CID165473127
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate
SMILESCCCc1ccc2c(c1)C(CC(=O)OCC)CCN2
InChIInChI=1S/C16H23NO2/c1-3-5-12-6-7-15-14(10-12)13(8-9-17-15)11-16(18)19-4-2/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3
InChIKeyQWBYXVXJQPFAQO-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275588
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
bis(2-cyclopropyl-4-propylphenyl) carbonate
CID 139767428
6-ethyl-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623375
4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866891
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
ethyl 3-[(1R,9R,10S)-10-hydroxy-12-oxa-8-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]propanoate
CID 131974821
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
6-ethyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 82275587
ethyl 2-[(3R,4S)-3-ethyl-2-oxopiperidin-4-yl]acetate
CID 131843994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate?
The IUPAC name of ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate (CID 165473127) is ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate?
The canonical SMILES for ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate is CCCc1ccc2c(c1)C(CC(=O)OCC)CCN2.
What is the InChIKey of ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate?
The InChIKey is QWBYXVXJQPFAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-12-6-7-15-14(10-12)13(8-9-17-15)11-16(18)19-4-2/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate?
ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate has a molecular weight of 261.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-propyl-1,2,3,4-tetrahydroquinolin-4-yl)acetate is sourced from PubChem (CID 165473127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).