N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine

C24H19FN4 — CID 134157091

IUPACN-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine
SMILESCc1ccc(C(/C=C/c2ccc(F)cc2)=N\Nc2nncc3ccccc23)cc1
InChIInChI=1S/C24H19FN4/c1-17-6-11-19(12-7-17)23(15-10-18-8-13-21(25)14-9-18)27-29-24-22-5-3-2-4-20(22)16-26-28-24/h2-16H,1H3,(H,28,29)/b15-10+,27-23-
InChIKeyIGXWHXJCDUCSBX-GNVALWJASA-N
MW382.44 g/mol
LogP5.61
Rot. Bonds5

About N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine

N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine (PubChem CID 134157091) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine
PubChem CID134157091
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC NameN-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine
SMILESCc1ccc(C(/C=C/c2ccc(F)cc2)=N\Nc2nncc3ccccc23)cc1
InChIInChI=1S/C24H19FN4/c1-17-6-11-19(12-7-17)23(15-10-18-8-13-21(25)14-9-18)27-29-24-22-5-3-2-4-20(22)16-26-28-24/h2-16H,1H3,(H,28,29)/b15-10+,27-23-
InChIKeyIGXWHXJCDUCSBX-GNVALWJASA-N
XLogP5.61
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine (CID 134157091) is N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine is Cc1ccc(C(/C=C/c2ccc(F)cc2)=N\Nc2nncc3ccccc23)cc1.
What is the InChIKey of N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine?
The InChIKey is IGXWHXJCDUCSBX-GNVALWJASA-N. The full InChI is InChI=1S/C24H19FN4/c1-17-6-11-19(12-7-17)23(15-10-18-8-13-21(25)14-9-18)27-29-24-22-5-3-2-4-20(22)16-26-28-24/h2-16H,1H3,(H,28,29)/b15-10+,27-23-.
What are the key properties of N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine?
N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine has a molecular weight of 382.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-enylidene]amino]phthalazin-1-amine is sourced from PubChem (CID 134157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).