methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate

C14H19NO2 — CID 82582376

IUPACmethyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
SMILESCOC(=O)C(C)N1CCc2ccc(C)cc2C1
InChIInChI=1S/C14H19NO2/c1-10-4-5-12-6-7-15(9-13(12)8-10)11(2)14(16)17-3/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyPUYODBMKIRYLDW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds2

About methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate

methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate (PubChem CID 82582376) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
PubChem CID82582376
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
SMILESCOC(=O)C(C)N1CCc2ccc(C)cc2C1
InChIInChI=1S/C14H19NO2/c1-10-4-5-12-6-7-15(9-13(12)8-10)11(2)14(16)17-3/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyPUYODBMKIRYLDW-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
methyl 2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)propanoate
CID 82582488
methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 20871848
methyl (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 95294682
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 124844088
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
methyl 2-(1-amino-1-oxopropan-2-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582500
2-[7-(dimethylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
CID 110456956
methyl 2-(5-amino-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 82581973
methyl 2-(5-bromo-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 82582527
N-methyl-2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)hex-5-enamide
CID 170105065

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
The IUPAC name of methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate (CID 82582376) is methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate.
What is the SMILES notation for methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
The canonical SMILES for methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate is COC(=O)C(C)N1CCc2ccc(C)cc2C1.
What is the InChIKey of methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
The InChIKey is PUYODBMKIRYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-5-12-6-7-15(9-13(12)8-10)11(2)14(16)17-3/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate?
methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate has a molecular weight of 233.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate is sourced from PubChem (CID 82582376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).