1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C21H25NO5 — CID 174605391

IUPAC1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCOc1ccc(-c2c(OC)ccc3c2CCN(C(C)=O)C3)c(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-13(23)22-11-10-15-14(12-22)6-8-17(24-2)19(15)16-7-9-18(25-3)21(27-5)20(16)26-4/h6-9H,10-12H2,1-5H3
InChIKeyBHKAPZYIDPTSAN-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.29
Rot. Bonds5

About 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 174605391) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID174605391
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCOc1ccc(-c2c(OC)ccc3c2CCN(C(C)=O)C3)c(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-13(23)22-11-10-15-14(12-22)6-8-17(24-2)19(15)16-7-9-18(25-3)21(27-5)20(16)26-4/h6-9H,10-12H2,1-5H3
InChIKeyBHKAPZYIDPTSAN-UHFFFAOYSA-N
XLogP3.29
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone with MolForge

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Related Compounds

(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethenylphenyl)methanone
CID 166188810
1-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 115023573
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
7-acetyl-2-(3-chloro-4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 171912393
1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone
CID 57006302
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56864916
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
acetyl chloride;2,3-dimethoxybicyclo[2.2.0]hexa-1,3,5-triene
CID 87951546
[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenyl] acetate
CID 89420952
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 174605391) is 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is COc1ccc(-c2c(OC)ccc3c2CCN(C(C)=O)C3)c(OC)c1OC.
What is the InChIKey of 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is BHKAPZYIDPTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-13(23)22-11-10-15-14(12-22)6-8-17(24-2)19(15)16-7-9-18(25-3)21(27-5)20(16)26-4/h6-9H,10-12H2,1-5H3.
What are the key properties of 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 371.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-5-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 174605391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).