(5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione

C22H18ClN3O3 — CID 171358306

IUPAC(5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2nc(Cl)c(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)cc2c1
InChIInChI=1S/C22H18ClN3O3/c1-29-17-7-8-18-15(12-17)11-16(20(23)24-18)13-19-21(27)26(22(28)25-19)10-9-14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,25,28)/b19-13-
InChIKeyXQFKCYCCEXFMBX-UYRXBGFRSA-N
MW407.86 g/mol
LogP4.03
Rot. Bonds5

About (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione

(5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 171358306) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID171358306
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name(5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2nc(Cl)c(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)cc2c1
InChIInChI=1S/C22H18ClN3O3/c1-29-17-7-8-18-15(12-17)11-16(20(23)24-18)13-19-21(27)26(22(28)25-19)10-9-14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,25,28)/b19-13-
InChIKeyXQFKCYCCEXFMBX-UYRXBGFRSA-N
XLogP4.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 129318961
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CID 9887473
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CID 16546559
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CID 44440357
CID 44440357
CID 44440358
CID 44440358
CID 49797263
CID 49797263
CID 71731604
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CID 155903034
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CID 5459427
CID 5459427
CID 53251257
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CID 1459988
CID 1459988

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione (CID 171358306) is (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione is COc1ccc2nc(Cl)c(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)cc2c1.
What is the InChIKey of (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is XQFKCYCCEXFMBX-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-29-17-7-8-18-15(12-17)11-16(20(23)24-18)13-19-21(27)26(22(28)25-19)10-9-14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,25,28)/b19-13-.
What are the key properties of (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione?
(5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 407.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-3-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 171358306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).