7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one

C24H27NO5 — CID 155511549

IUPAC7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one
SMILESCOc1cc2c(cc1OC)CN(CCOc1ccc3c(C)c(C)c(=O)oc3c1)CC2
InChIInChI=1S/C24H27NO5/c1-15-16(2)24(26)30-21-13-19(5-6-20(15)21)29-10-9-25-8-7-17-11-22(27-3)23(28-4)12-18(17)14-25/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyLVTKYEDEEITQKT-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.86
Rot. Bonds6

About 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one

7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one (PubChem CID 155511549) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one
PubChem CID155511549
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one
SMILESCOc1cc2c(cc1OC)CN(CCOc1ccc3c(C)c(C)c(=O)oc3c1)CC2
InChIInChI=1S/C24H27NO5/c1-15-16(2)24(26)30-21-13-19(5-6-20(15)21)29-10-9-25-8-7-17-11-22(27-3)23(28-4)12-18(17)14-25/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyLVTKYEDEEITQKT-UHFFFAOYSA-N
XLogP3.86
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]methoxy]-3,4-dimethylchromen-2-one
CID 155529325
7-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-3,4-dimethylchromen-2-one;hydrochloride
CID 155559130
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
1-[4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-hydroxyphenyl]ethanone
CID 155565080
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
2-[3-[4-[(2-ethyl-1-benzofuran-3-yl)sulfonyl]phenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14771520
6,7-dimethoxy-2-[2-(2-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 53390918
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 30986236

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one (CID 155511549) is 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one is COc1cc2c(cc1OC)CN(CCOc1ccc3c(C)c(C)c(=O)oc3c1)CC2.
What is the InChIKey of 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one?
The InChIKey is LVTKYEDEEITQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-15-16(2)24(26)30-21-13-19(5-6-20(15)21)29-10-9-25-8-7-17-11-22(27-3)23(28-4)12-18(17)14-25/h5-6,11-13H,7-10,14H2,1-4H3.
What are the key properties of 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one?
7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one has a molecular weight of 409.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 155511549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).