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

C29H22ClNO4 — CID 108677515

IUPAC(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cccc(Cl)c3)C2c2cccc3ccccc23)cc1C
InChIInChI=1S/C29H22ClNO4/c1-17-15-19(13-14-24(17)35-2)27(32)25-26(23-12-5-8-18-7-3-4-11-22(18)23)31(29(34)28(25)33)21-10-6-9-20(30)16-21/h3-16,26,32H,1-2H3/b27-25-
InChIKeyBXOQHEKBVKVMRP-RFBIWTDZSA-N
MW483.95 g/mol
LogP6.44
Rot. Bonds4

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

(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione (PubChem CID 108677515) has the molecular formula C29H22ClNO4 and a molecular weight of 483.95 g/mol. Its IUPAC name is (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
PubChem CID108677515
Molecular FormulaC29H22ClNO4
Molecular Weight483.95 g/mol
Exact Mass483.12
IUPAC Name(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cccc(Cl)c3)C2c2cccc3ccccc23)cc1C
InChIInChI=1S/C29H22ClNO4/c1-17-15-19(13-14-24(17)35-2)27(32)25-26(23-12-5-8-18-7-3-4-11-22(18)23)31(29(34)28(25)33)21-10-6-9-20(30)16-21/h3-16,26,32H,1-2H3/b27-25-
InChIKeyBXOQHEKBVKVMRP-RFBIWTDZSA-N
XLogP6.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 56.44
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

(4Z)-1-(3-chlorophenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677518
(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677508
(4Z)-1-(3-chlorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677474
(4E)-1-(4-chlorophenyl)-4-[hydroxy-(4-methoxy-2,5-dimethylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677444
(4Z)-1-(4-chlorophenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677431
(4E)-1-(3-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108578650
(4E)-1-(3-chloro-4-methylphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
CID 108667949
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108644929
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-chlorophenyl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
CID 108602908
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-1-(4-chlorophenyl)-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677363
(4Z)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-yl-1-propylpyrrolidine-2,3-dione
CID 108637541
(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(4-methoxyphenyl)-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108606574

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione (CID 108677515) is (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione is COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cccc(Cl)c3)C2c2cccc3ccccc23)cc1C.
What is the InChIKey of (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
The InChIKey is BXOQHEKBVKVMRP-RFBIWTDZSA-N. The full InChI is InChI=1S/C29H22ClNO4/c1-17-15-19(13-14-24(17)35-2)27(32)25-26(23-12-5-8-18-7-3-4-11-22(18)23)31(29(34)28(25)33)21-10-6-9-20(30)16-21/h3-16,26,32H,1-2H3/b27-25-.
What are the key properties of (4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione?
(4Z)-1-(3-chlorophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione has a molecular weight of 483.95 g/mol, XLogP of 6.44, 4 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-(4-methoxy-3-methylphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 108677515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).