N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine

C23H18N2O — CID 170773840

IUPACN-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
SMILESCOc1ccc2cncc(N=C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C23H18N2O/c1-26-20-13-12-19-15-24-16-22(21(19)14-20)25-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyXJKLKCVTYPKSCS-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.41
Rot. Bonds4

About N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine

N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine (PubChem CID 170773840) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
PubChem CID170773840
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC NameN-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
SMILESCOc1ccc2cncc(N=C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C23H18N2O/c1-26-20-13-12-19-15-24-16-22(21(19)14-20)25-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyXJKLKCVTYPKSCS-UHFFFAOYSA-N
XLogP5.41
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773446
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
CID 155435961
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173
N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
CID 154719104
N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
CID 161458787
N-(2,4-dimethylphenyl)-1-[6-[N-(4-methoxy-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2,4-dimethylphenyl)-1-[6-[N-(4-methoxy-2-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-4-nitrophenyl)ethanimine;N-(2-methyl-4-nitrophenyl)-1-[6-[N-(2-methyl-4-nitrophenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 158213071
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,6-naphthyridin-8-yl]-1,1-diphenylmethanimine
CID 170773404
methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
CID 163675552
2-(4-amino-6-methoxyquinazolin-2-yl)phenol
CID 137271406

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine (CID 170773840) is N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine is COc1ccc2cncc(N=C(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine?
The InChIKey is XJKLKCVTYPKSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-26-20-13-12-19-15-24-16-22(21(19)14-20)25-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine?
N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine has a molecular weight of 338.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 170773840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).