(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde

C22H25NO6 — CID 162352401

IUPAC(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde
SMILESCOc1cc2c(cc1OC)/C(=C/c1cc(OC)c(OC)c(OC)c1)N(C=O)CC2
InChIInChI=1S/C22H25NO6/c1-25-18-11-15-6-7-23(13-24)17(16(15)12-19(18)26-2)8-14-9-20(27-3)22(29-5)21(10-14)28-4/h8-13H,6-7H2,1-5H3/b17-8-
InChIKeyOLSVBLLBYSZIDR-IUXPMGMMSA-N
MW399.44 g/mol
LogP3.24
Rot. Bonds7

About (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde

(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde (PubChem CID 162352401) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde
PubChem CID162352401
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde
SMILESCOc1cc2c(cc1OC)/C(=C/c1cc(OC)c(OC)c(OC)c1)N(C=O)CC2
InChIInChI=1S/C22H25NO6/c1-25-18-11-15-6-7-23(13-24)17(16(15)12-19(18)26-2)8-14-9-20(27-3)22(29-5)21(10-14)28-4/h8-13H,6-7H2,1-5H3/b17-8-
InChIKeyOLSVBLLBYSZIDR-IUXPMGMMSA-N
XLogP3.24
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde 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

1-[(1E)-1-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
CID 6186038
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopropane-1-carbaldehyde
CID 50905644
5,6,7-trimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11086211
(3E,5Z)-1,1-dioxo-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]thian-4-one
CID 118707694
(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
CID 7094083
4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
CID 67809413
(E)-1-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 7097303
prop-2-enyl (1Z)-6,7-dimethoxy-1-(2-oxoethylidene)-3,4-dihydroisoquinoline-2-carboxylate
CID 88881323
6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933
2,3-dimethyl-7-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-b][1,2,4]triazin-6-one
CID 4896364

Frequently Asked Questions

What is the IUPAC name of (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde?
The IUPAC name of (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde (CID 162352401) is (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde.
What is the SMILES notation for (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde?
The canonical SMILES for (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde is COc1cc2c(cc1OC)/C(=C/c1cc(OC)c(OC)c(OC)c1)N(C=O)CC2.
What is the InChIKey of (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde?
The InChIKey is OLSVBLLBYSZIDR-IUXPMGMMSA-N. The full InChI is InChI=1S/C22H25NO6/c1-25-18-11-15-6-7-23(13-24)17(16(15)12-19(18)26-2)8-14-9-20(27-3)22(29-5)21(10-14)28-4/h8-13H,6-7H2,1-5H3/b17-8-.
What are the key properties of (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde?
(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde has a molecular weight of 399.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde is sourced from PubChem (CID 162352401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).