(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione

C26H17ClN2O3 — CID 108677489

IUPAC(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cccc(Cl)c2)C(c2cccc3ccccc23)/C1=C(/O)c1ccncc1
InChIInChI=1S/C26H17ClN2O3/c27-18-7-4-8-19(15-18)29-23(21-10-3-6-16-5-1-2-9-20(16)21)22(25(31)26(29)32)24(30)17-11-13-28-14-12-17/h1-15,23,30H/b24-22-
InChIKeyRJOIWZGRJAOYRS-GYHWCHFESA-N
MW440.89 g/mol
LogP5.51
Rot. Bonds3

About (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione

(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione (PubChem CID 108677489) has the molecular formula C26H17ClN2O3 and a molecular weight of 440.89 g/mol. Its IUPAC name is (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
PubChem CID108677489
Molecular FormulaC26H17ClN2O3
Molecular Weight440.89 g/mol
Exact Mass440.09
IUPAC Name(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cccc(Cl)c2)C(c2cccc3ccccc23)/C1=C(/O)c1ccncc1
InChIInChI=1S/C26H17ClN2O3/c27-18-7-4-8-19(15-18)29-23(21-10-3-6-16-5-1-2-9-20(16)21)22(25(31)26(29)32)24(30)17-11-13-28-14-12-17/h1-15,23,30H/b24-22-
InChIKeyRJOIWZGRJAOYRS-GYHWCHFESA-N
XLogP5.51
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108633371
(4Z)-1-(3-chlorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677474
(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677508
(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677515
(4E,5S)-1-(3-chlorophenyl)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5443463
(4E)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629883
(4Z)-1-(3-chlorophenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677518
(4E)-4-[(3-chlorophenyl)-hydroxymethylidene]-1-(3-methylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632614
(4E)-1-(3-chlorophenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108633411
(4E)-1-(4-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677403
(5R)-1-(3-chlorophenyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1122815
(4Z)-1-(3-chlorophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 6614286

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione (CID 108677489) is (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione is O=C1C(=O)N(c2cccc(Cl)c2)C(c2cccc3ccccc23)/C1=C(/O)c1ccncc1.
What is the InChIKey of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
The InChIKey is RJOIWZGRJAOYRS-GYHWCHFESA-N. The full InChI is InChI=1S/C26H17ClN2O3/c27-18-7-4-8-19(15-18)29-23(21-10-3-6-16-5-1-2-9-20(16)21)22(25(31)26(29)32)24(30)17-11-13-28-14-12-17/h1-15,23,30H/b24-22-.
What are the key properties of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
(4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione has a molecular weight of 440.89 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 108677489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).