7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one

C23H28N2O5 — CID 155510763

IUPAC7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)C(=O)N(C)CC2
InChIInChI=1S/C23H28N2O5/c1-24-8-6-15-11-20(28-4)22(29-5)21(17(15)13-24)30-19-12-16-14(10-18(19)27-3)7-9-25(2)23(16)26/h10-12H,6-9,13H2,1-5H3
InChIKeyVEEVDSQFFOCSIG-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.12
Rot. Bonds5

About 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one

7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 155510763) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID155510763
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)C(=O)N(C)CC2
InChIInChI=1S/C23H28N2O5/c1-24-8-6-15-11-20(28-4)22(29-5)21(17(15)13-24)30-19-12-16-14(10-18(19)27-3)7-9-25(2)23(16)26/h10-12H,6-9,13H2,1-5H3
InChIKeyVEEVDSQFFOCSIG-UHFFFAOYSA-N
XLogP3.12
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

N-Methylcorydaldine
CID 303906
8-Oxopalmatine
CID 10926678
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
Muramine
CID 288122
1-{7-Methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 9870370
1-{6-Methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 21363697
1-{12-Oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 21363714
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
8-Oxopseudopalmatine
CID 392605
1-{4,6-Dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,5-dimethoxyphenyl)ethane-1,2-dione
CID 11851095
1-{4,6-Dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 24860365
1-{5-Methyl-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 24860366

Frequently Asked Questions

What is the IUPAC name of 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one (CID 155510763) is 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one is COc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)C(=O)N(C)CC2.
What is the InChIKey of 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is VEEVDSQFFOCSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-24-8-6-15-11-20(28-4)22(29-5)21(17(15)13-24)30-19-12-16-14(10-18(19)27-3)7-9-25(2)23(16)26/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one?
7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 412.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 155510763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).