1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine

C23H21N7O3 — CID 2005743

IUPAC1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine
SMILESCOc1ccc(C=NOCc2nc3c4cnn(-c5cccc(C)c5)c4ncn3n2)cc1OC
InChIInChI=1S/C23H21N7O3/c1-15-5-4-6-17(9-15)30-22-18(12-25-30)23-27-21(28-29(23)14-24-22)13-33-26-11-16-7-8-19(31-2)20(10-16)32-3/h4-12,14H,13H2,1-3H3
InChIKeyTVJUTOXHIIRNDJ-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.34
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine

1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine (PubChem CID 2005743) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine
PubChem CID2005743
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine
SMILESCOc1ccc(C=NOCc2nc3c4cnn(-c5cccc(C)c5)c4ncn3n2)cc1OC
InChIInChI=1S/C23H21N7O3/c1-15-5-4-6-17(9-15)30-22-18(12-25-30)23-27-21(28-29(23)14-24-22)13-33-26-11-16-7-8-19(31-2)20(10-16)32-3/h4-12,14H,13H2,1-3H3
InChIKeyTVJUTOXHIIRNDJ-UHFFFAOYSA-N
XLogP3.34
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine 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

(E)-N-[(10-benzyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]-1-(3,4-dimethoxyphenyl)methanimine
CID 6880012
(Z)-1-(3,4-dimethoxyphenyl)-N-[(11,12-dimethyl-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methoxy]methanimine
CID 41008861
4-[(2-methoxy-4-propylphenoxy)methyl]-10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2011879
4-[(3-methoxyphenoxy)methyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 663418
(Z)-1-(3,4-dimethoxyphenyl)-N-[[(2R)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaen-6-yl]methoxy]methanimine
CID 98173099
(Z)-1-(3,4-dimethoxyphenyl)-N-[[16-(furan-2-yl)-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-4-yl]methoxy]methanimine
CID 90481369
(E)-N-[[10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-phenylethanimine
CID 7403956
10-(3-bromophenyl)-4-[(4-methoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605281
4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539459
N-[[10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]-1-thiophen-2-ylethanimine
CID 5166983
10-(3,4-dichlorophenyl)-4-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3377066
4-[(3,5-dimethylpyrazol-1-yl)methyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4776628

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine (CID 2005743) is 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine is COc1ccc(C=NOCc2nc3c4cnn(-c5cccc(C)c5)c4ncn3n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine?
The InChIKey is TVJUTOXHIIRNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-15-5-4-6-17(9-15)30-22-18(12-25-30)23-27-21(28-29(23)14-24-22)13-33-26-11-16-7-8-19(31-2)20(10-16)32-3/h4-12,14H,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine?
1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine has a molecular weight of 443.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[[10-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]methoxy]methanimine is sourced from PubChem (CID 2005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).