(3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione

C20H13ClN2O2 — CID 110457964

IUPAC(3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2cnc3ccccc3c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H13ClN2O2/c21-16-5-3-6-17(11-16)23-19(24)10-15(20(23)25)9-13-8-14-4-1-2-7-18(14)22-12-13/h1-9,11-12H,10H2/b15-9+
InChIKeyCOHFMGUKLBMVOO-OQLLNIDSSA-N
MW348.79 g/mol
LogP4.24
Rot. Bonds2

About (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione

(3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione (PubChem CID 110457964) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione
PubChem CID110457964
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name(3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione
SMILESO=C1C/C(=C\c2cnc3ccccc3c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C20H13ClN2O2/c21-16-5-3-6-17(11-16)23-19(24)10-15(20(23)25)9-13-8-14-4-1-2-7-18(14)22-12-13/h1-9,11-12H,10H2/b15-9+
InChIKeyCOHFMGUKLBMVOO-OQLLNIDSSA-N
XLogP4.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 71373124
(3E)-1-(3-chlorophenyl)-3-[(2,4-difluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 110457954
1-(4-chlorophenyl)-5-(quinolin-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90991425
(6E)-6-(quinolin-3-ylmethylidene)cyclohex-2-en-1-one
CID 162664345
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
(5E)-2-morpholin-4-yl-5-(quinolin-3-ylmethylidene)-1,3-thiazol-4-one
CID 11976459
(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione
CID 54601476
5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
(5E)-3-(3-chlorophenyl)-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126078746
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione (CID 110457964) is (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione is O=C1C/C(=C\c2cnc3ccccc3c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione?
The InChIKey is COHFMGUKLBMVOO-OQLLNIDSSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-16-5-3-6-17(11-16)23-19(24)10-15(20(23)25)9-13-8-14-4-1-2-7-18(14)22-12-13/h1-9,11-12H,10H2/b15-9+.
What are the key properties of (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione?
(3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione has a molecular weight of 348.79 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(3-chlorophenyl)-3-(quinolin-3-ylmethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 110457964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).