4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline

C26H36BrN3OSi — CID 141177361

IUPAC4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline
SMILESCC(C)[Si](Oc1cc(CN/C=C2\CN=Cc3ccc(Br)cc32)ccc1N)(C(C)C)C(C)C
InChIInChI=1S/C26H36BrN3OSi/c1-17(2)32(18(3)4,19(5)6)31-26-11-20(7-10-25(26)28)13-29-15-22-16-30-14-21-8-9-23(27)12-24(21)22/h7-12,14-15,17-19,29H,13,16,28H2,1-6H3/b22-15+
InChIKeyFXGQQDJCIAPRMS-PXLXIMEGSA-N
MW514.58 g/mol
LogP7.15
Rot. Bonds8

About 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline

4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline (PubChem CID 141177361) has the molecular formula C26H36BrN3OSi and a molecular weight of 514.58 g/mol. Its IUPAC name is 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline.

Molecular Properties

Compound Name4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline
PubChem CID141177361
Molecular FormulaC26H36BrN3OSi
Molecular Weight514.58 g/mol
Exact Mass513.18
IUPAC Name4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline
SMILESCC(C)[Si](Oc1cc(CN/C=C2\CN=Cc3ccc(Br)cc32)ccc1N)(C(C)C)C(C)C
InChIInChI=1S/C26H36BrN3OSi/c1-17(2)32(18(3)4,19(5)6)31-26-11-20(7-10-25(26)28)13-29-15-22-16-30-14-21-8-9-23(27)12-24(21)22/h7-12,14-15,17-19,29H,13,16,28H2,1-6H3/b22-15+
InChIKeyFXGQQDJCIAPRMS-PXLXIMEGSA-N
XLogP7.15
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline with MolForge

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Related Compounds

4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline
CID 59300340
5-[[(6-bromo-1H-isoquinolin-4-ylidene)methylamino]methyl]-2-prop-2-enoxyphenol
CID 69174094
4-bromo-2-(1-methoxypropan-2-yloxy)aniline
CID 65342707
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
CID 55232940
4-bromo-2-(methoxymethoxy)aniline
CID 167459517
4-bromo-1-N-[(3-ethyl-4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115125451
5-bromo-2-[(4-propan-2-ylphenyl)methoxy]aniline
CID 65430532
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892702
[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
CID 59310555

Frequently Asked Questions

What is the IUPAC name of 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline?
The IUPAC name of 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline (CID 141177361) is 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline.
What is the SMILES notation for 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline?
The canonical SMILES for 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline is CC(C)[Si](Oc1cc(CN/C=C2\CN=Cc3ccc(Br)cc32)ccc1N)(C(C)C)C(C)C.
What is the InChIKey of 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline?
The InChIKey is FXGQQDJCIAPRMS-PXLXIMEGSA-N. The full InChI is InChI=1S/C26H36BrN3OSi/c1-17(2)32(18(3)4,19(5)6)31-26-11-20(7-10-25(26)28)13-29-15-22-16-30-14-21-8-9-23(27)12-24(21)22/h7-12,14-15,17-19,29H,13,16,28H2,1-6H3/b22-15+.
What are the key properties of 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline?
4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline has a molecular weight of 514.58 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(Z)-(6-bromo-3H-isoquinolin-4-ylidene)methyl]amino]methyl]-2-tri(propan-2-yl)silyloxyaniline is sourced from PubChem (CID 141177361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).