7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline

C22H29NO4 — CID 141219882

IUPAC7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CN(Cc1cc(OC)c(OC)c(OC)c1)C(C)(C)C2
InChIInChI=1S/C22H29NO4/c1-22(2)12-16-7-8-18(24-3)11-17(16)14-23(22)13-15-9-19(25-4)21(27-6)20(10-15)26-5/h7-11H,12-14H2,1-6H3
InChIKeyCRNSWHIRESPESX-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.06
Rot. Bonds6

About 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline

7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline (PubChem CID 141219882) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline
PubChem CID141219882
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CN(Cc1cc(OC)c(OC)c(OC)c1)C(C)(C)C2
InChIInChI=1S/C22H29NO4/c1-22(2)12-16-7-8-18(24-3)11-17(16)14-23(22)13-15-9-19(25-4)21(27-6)20(10-15)26-5/h7-11H,12-14H2,1-6H3
InChIKeyCRNSWHIRESPESX-UHFFFAOYSA-N
XLogP4.06
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tetrandrine
CID 73078
(-)-Tetrahydropalmatine
CID 72301
(+)-Glaucine
CID 16754
Lomerizine
CID 3949
Metocurine Iodide
CID 24244
Drotaverine
CID 1712095
Laudanosine
CID 73397
Reticuline
CID 439653
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
(-)-Nuciferine
CID 10146
(+-)-Laudanosine
CID 15548
Metocurine
CID 21233

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline?
The IUPAC name of 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline (CID 141219882) is 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline.
What is the SMILES notation for 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline?
The canonical SMILES for 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline is COc1ccc2c(c1)CN(Cc1cc(OC)c(OC)c(OC)c1)C(C)(C)C2.
What is the InChIKey of 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline?
The InChIKey is CRNSWHIRESPESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-22(2)12-16-7-8-18(24-3)11-17(16)14-23(22)13-15-9-19(25-4)21(27-6)20(10-15)26-5/h7-11H,12-14H2,1-6H3.
What are the key properties of 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline?
7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline has a molecular weight of 371.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline is sourced from PubChem (CID 141219882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).