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

C12H14BrNO2 — CID 10401600

IUPACmethyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCOC(=O)CC1CCc2cc(Br)ccc2N1
InChIInChI=1S/C12H14BrNO2/c1-16-12(15)7-10-4-2-8-6-9(13)3-5-11(8)14-10/h3,5-6,10,14H,2,4,7H2,1H3
InChIKeyINPWPOQJPYPQQY-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.74
Rot. Bonds2

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

methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate (PubChem CID 10401600) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
PubChem CID10401600
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
SMILESCOC(=O)CC1CCc2cc(Br)ccc2N1
InChIInChI=1S/C12H14BrNO2/c1-16-12(15)7-10-4-2-8-6-9(13)3-5-11(8)14-10/h3,5-6,10,14H,2,4,7H2,1H3
InChIKeyINPWPOQJPYPQQY-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromo-6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)acetate
CID 19591908
ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 123645338
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
CID 84641162
methyl 2-(5-bromo-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl)acetate
CID 15956437
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
N-[2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]propan-2-amine
CID 67530768
methyl 3-[(2R)-6-bromo-3,4-dihydro-2H-chromen-2-yl]propanoate
CID 138319732
2-(7-bromo-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 57221280
(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146165201
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
methyl 3-[(2S)-6-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]propanoate
CID 155021360

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate (CID 10401600) is methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate is COC(=O)CC1CCc2cc(Br)ccc2N1.
What is the InChIKey of methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
The InChIKey is INPWPOQJPYPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-12(15)7-10-4-2-8-6-9(13)3-5-11(8)14-10/h3,5-6,10,14H,2,4,7H2,1H3.
What are the key properties of methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate?
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate has a molecular weight of 284.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate is sourced from PubChem (CID 10401600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).