2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione

C18H11ClN4O2 — CID 168518113

IUPAC2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H11ClN4O2/c19-15-9-10-16(22-21-15)20-11-5-7-12(8-6-11)23-17(24)13-3-1-2-4-14(13)18(23)25/h1-10H,(H,20,22)
InChIKeyGVPZNXQEANIJML-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.67
Rot. Bonds3

About 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione

2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione (PubChem CID 168518113) has the molecular formula C18H11ClN4O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione
PubChem CID168518113
Molecular FormulaC18H11ClN4O2
Molecular Weight350.77 g/mol
Exact Mass350.06
IUPAC Name2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H11ClN4O2/c19-15-9-10-16(22-21-15)20-11-5-7-12(8-6-11)23-17(24)13-3-1-2-4-14(13)18(23)25/h1-10H,(H,20,22)
InChIKeyGVPZNXQEANIJML-UHFFFAOYSA-N
XLogP3.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-methylphenyl)pyridazin-3-amine
CID 6409839
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
4-[[4-chloro-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrol-3-yl]amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405701
4-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405623
6-chloro-N-[4-(furan-2-yl)phenyl]pyridazin-3-amine
CID 168526807
6-chloro-N-(2-phenylphenyl)pyridazin-3-amine
CID 43329636
4-[[4-chloro-1-(2-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405689
2-cyano-2-[3-[4-(1,3-dioxoisoindol-2-yl)anilino]isoindol-1-ylidene]acetamide
CID 3018612
6-chloro-N-(3,4-difluorophenyl)pyridazin-3-amine
CID 43151751
2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione
CID 168519001
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione (CID 168518113) is 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione?
The InChIKey is GVPZNXQEANIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2/c19-15-9-10-16(22-21-15)20-11-5-7-12(8-6-11)23-17(24)13-3-1-2-4-14(13)18(23)25/h1-10H,(H,20,22).
What are the key properties of 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione?
2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione has a molecular weight of 350.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloropyridazin-3-yl)amino]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).