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

C14H19NO2 — CID 123645338

IUPACethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(C)ccc2N1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)9-12-6-5-11-8-10(2)4-7-13(11)15-12/h4,7-8,12,15H,3,5-6,9H2,1-2H3
InChIKeyOIYNKGNZBJJITD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.67
Rot. Bonds3

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

ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate (PubChem CID 123645338) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
PubChem CID123645338
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(C)ccc2N1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)9-12-6-5-11-8-10(2)4-7-13(11)15-12/h4,7-8,12,15H,3,5-6,9H2,1-2H3
InChIKeyOIYNKGNZBJJITD-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3S)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
CID 92715845
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10401600
ethyl 2-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetate
CID 118599776
ethyl 2-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetate;hydrochloride
CID 170917114
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
ethyl 2-(7-methyl-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 10333090
(5-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83860472
ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 118477285
ethyl 2-[(3S)-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
CID 92715847
ethyl 2-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetate
CID 46344355
ethyl 8-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
CID 142193926

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate (CID 123645338) is ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate is CCOC(=O)CC1CCc2cc(C)ccc2N1.
What is the InChIKey of ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The InChIKey is OIYNKGNZBJJITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)9-12-6-5-11-8-10(2)4-7-13(11)15-12/h4,7-8,12,15H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate has a molecular weight of 233.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate is sourced from PubChem (CID 123645338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).