N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine

C18H18N4O2 — CID 6413560

IUPACN-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCCOc1ccc(/C=N\Nc2nncc3ccccc23)cc1OC
InChIInChI=1S/C18H18N4O2/c1-3-24-16-9-8-13(10-17(16)23-2)11-19-21-18-15-7-5-4-6-14(15)12-20-22-18/h4-12H,3H2,1-2H3,(H,21,22)/b19-11-
InChIKeyBTHFJPSREJPRKZ-ODLFYWEKSA-N
MW322.37 g/mol
LogP3.48
Rot. Bonds6

About N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine

N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6413560) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
PubChem CID6413560
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCCOc1ccc(/C=N\Nc2nncc3ccccc23)cc1OC
InChIInChI=1S/C18H18N4O2/c1-3-24-16-9-8-13(10-17(16)23-2)11-19-21-18-15-7-5-4-6-14(15)12-20-22-18/h4-12H,3H2,1-2H3,(H,21,22)/b19-11-
InChIKeyBTHFJPSREJPRKZ-ODLFYWEKSA-N
XLogP3.48
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
[2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate
CID 6788421
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenol;dihydrochloride
CID 135939746
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265253
4-[(E)-2-diethoxyphosphorylethenyl]-2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxyphenol
CID 135939745
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265254
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
CID 9014773

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine (CID 6413560) is N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine is CCOc1ccc(/C=N\Nc2nncc3ccccc23)cc1OC.
What is the InChIKey of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is BTHFJPSREJPRKZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-24-16-9-8-13(10-17(16)23-2)11-19-21-18-15-7-5-4-6-14(15)12-20-22-18/h4-12H,3H2,1-2H3,(H,21,22)/b19-11-.
What are the key properties of N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine?
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 322.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6413560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).