N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine

C17H16N4O2 — CID 6812902

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1cccc(C=NNc2nncc3ccccc23)c1OC
InChIInChI=1S/C17H16N4O2/c1-22-15-9-5-7-13(16(15)23-2)11-19-21-17-14-8-4-3-6-12(14)10-18-20-17/h3-11H,1-2H3,(H,20,21)
InChIKeyZTNJUFSKBYYYQT-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.09
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine

N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6812902) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
PubChem CID6812902
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1cccc(C=NNc2nncc3ccccc23)c1OC
InChIInChI=1S/C17H16N4O2/c1-22-15-9-5-7-13(16(15)23-2)11-19-21-17-14-8-4-3-6-12(14)10-18-20-17/h3-11H,1-2H3,(H,20,21)
InChIKeyZTNJUFSKBYYYQT-UHFFFAOYSA-N
XLogP3.09
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.09
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

2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
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-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
CID 71820462
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine (CID 6812902) is N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine is COc1cccc(C=NNc2nncc3ccccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is ZTNJUFSKBYYYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-15-9-5-7-13(16(15)23-2)11-19-21-17-14-8-4-3-6-12(14)10-18-20-17/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine?
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 308.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).