N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine

C21H16N4O — CID 6411688

IUPACN-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESC(=N\Nc1nncc2ccccc12)\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16N4O/c1-2-9-18(10-3-1)26-19-11-6-7-16(13-19)14-22-24-21-20-12-5-4-8-17(20)15-23-25-21/h1-15H,(H,24,25)/b22-14-
InChIKeyCPELKNKHSSVVLU-HMAPJEAMSA-N
MW340.39 g/mol
LogP4.87
Rot. Bonds5

About N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine

N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6411688) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
PubChem CID6411688
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESC(=N\Nc1nncc2ccccc12)\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16N4O/c1-2-9-18(10-3-1)26-19-11-6-7-16(13-19)14-22-24-21-20-12-5-4-8-17(20)15-23-25-21/h1-15H,(H,24,25)/b22-14-
InChIKeyCPELKNKHSSVVLU-HMAPJEAMSA-N
XLogP4.87
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenol;dihydrochloride
CID 135939746
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine (CID 6411688) is N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine is C(=N\Nc1nncc2ccccc12)\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is CPELKNKHSSVVLU-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-9-18(10-3-1)26-19-11-6-7-16(13-19)14-22-24-21-20-12-5-4-8-17(20)15-23-25-21/h1-15H,(H,24,25)/b22-14-.
What are the key properties of N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine?
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 340.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6411688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).