(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone

C21H25NO4 — CID 123524792

IUPAC(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2Cc3cc(OC)ccc3CC2(C)C)c1
InChIInChI=1S/C21H25NO4/c1-21(2)12-14-6-7-17(24-3)10-16(14)13-22(21)20(23)15-8-18(25-4)11-19(9-15)26-5/h6-11H,12-13H2,1-5H3
InChIKeyJURRPQOVHBEFAC-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.69
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone

(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone (PubChem CID 123524792) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone
PubChem CID123524792
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2Cc3cc(OC)ccc3CC2(C)C)c1
InChIInChI=1S/C21H25NO4/c1-21(2)12-14-6-7-17(24-3)10-16(14)13-22(21)20(23)15-8-18(25-4)11-19(9-15)26-5/h6-11H,12-13H2,1-5H3
InChIKeyJURRPQOVHBEFAC-UHFFFAOYSA-N
XLogP3.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone (CID 123524792) is (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone is COc1cc(OC)cc(C(=O)N2Cc3cc(OC)ccc3CC2(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone?
The InChIKey is JURRPQOVHBEFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-21(2)12-14-6-7-17(24-3)10-16(14)13-22(21)20(23)15-8-18(25-4)11-19(9-15)26-5/h6-11H,12-13H2,1-5H3.
What are the key properties of (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone?
(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone has a molecular weight of 355.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone is sourced from PubChem (CID 123524792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).