(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline

C22H24N2O4 — CID 44817431

IUPAC(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline
SMILESCOc1cc2c(cc1OC)/C(=C1/NCCc3cc(OC)c(OC)cc31)N=CC2
InChIInChI=1S/C22H24N2O4/c1-25-17-9-13-5-7-23-21(15(13)11-19(17)27-3)22-16-12-20(28-4)18(26-2)10-14(16)6-8-24-22/h7,9-12,24H,5-6,8H2,1-4H3/b22-21-
InChIKeyAADCAUGPROLKOI-DQRAZIAOSA-N
MW380.44 g/mol
LogP3.32
Rot. Bonds4

About (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline

(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline (PubChem CID 44817431) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline.

Molecular Properties

Compound Name(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline
PubChem CID44817431
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline
SMILESCOc1cc2c(cc1OC)/C(=C1/NCCc3cc(OC)c(OC)cc31)N=CC2
InChIInChI=1S/C22H24N2O4/c1-25-17-9-13-5-7-23-21(15(13)11-19(17)27-3)22-16-12-20(28-4)18(26-2)10-14(16)6-8-24-22/h7,9-12,24H,5-6,8H2,1-4H3/b22-21-
InChIKeyAADCAUGPROLKOI-DQRAZIAOSA-N
XLogP3.32
TPSA61.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline with MolForge

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Related Compounds

2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
7,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 11401769
2-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]aniline
CID 5377790
(2Z)-1-(2,6-dichloro-4-pyridinyl)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)ethanone
CID 6532857
2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-N-(2-methoxyethyl)ethanethioamide
CID 51412217
(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one
CID 10948938
2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(2-fluorophenyl)ethanone
CID 4909470
2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-thiophen-2-ylethanone
CID 4903331
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
6,7-dimethoxy-1-[(4-methylphenyl)sulfonylmethylidene]-3,4-dihydro-2H-isoquinoline
CID 4906440
(2E)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-phenylacetonitrile
CID 11278183
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline?
The IUPAC name of (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline (CID 44817431) is (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline.
What is the SMILES notation for (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline?
The canonical SMILES for (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline is COc1cc2c(cc1OC)/C(=C1/NCCc3cc(OC)c(OC)cc31)N=CC2.
What is the InChIKey of (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline?
The InChIKey is AADCAUGPROLKOI-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-25-17-9-13-5-7-23-21(15(13)11-19(17)27-3)22-16-12-20(28-4)18(26-2)10-14(16)6-8-24-22/h7,9-12,24H,5-6,8H2,1-4H3/b22-21-.
What are the key properties of (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline?
(1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline has a molecular weight of 380.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-6,7-dimethoxy-4H-isoquinoline is sourced from PubChem (CID 44817431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).