(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione

C20H15N3O3S — CID 15471561

IUPAC(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione
SMILESCc1cccc2c1NC(=O)/C(=C/c1sc(Nc3ccccc3)nc1O)C2=O
InChIInChI=1S/C20H15N3O3S/c1-11-6-5-9-13-16(11)22-18(25)14(17(13)24)10-15-19(26)23-20(27-15)21-12-7-3-2-4-8-12/h2-10,26H,1H3,(H,21,23)(H,22,25)/b14-10+
InChIKeyWYYDHGHDSMOLOH-GXDHUFHOSA-N
MW377.43 g/mol
LogP4.12
Rot. Bonds3

About (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione

(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione (PubChem CID 15471561) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione
PubChem CID15471561
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione
SMILESCc1cccc2c1NC(=O)/C(=C/c1sc(Nc3ccccc3)nc1O)C2=O
InChIInChI=1S/C20H15N3O3S/c1-11-6-5-9-13-16(11)22-18(25)14(17(13)24)10-15-19(26)23-20(27-15)21-12-7-3-2-4-8-12/h2-10,26H,1H3,(H,21,23)(H,22,25)/b14-10+
InChIKeyWYYDHGHDSMOLOH-GXDHUFHOSA-N
XLogP4.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione?
The IUPAC name of (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione (CID 15471561) is (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione.
What is the SMILES notation for (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione?
The canonical SMILES for (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione is Cc1cccc2c1NC(=O)/C(=C/c1sc(Nc3ccccc3)nc1O)C2=O.
What is the InChIKey of (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione?
The InChIKey is WYYDHGHDSMOLOH-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-11-6-5-9-13-16(11)22-18(25)14(17(13)24)10-15-19(26)23-20(27-15)21-12-7-3-2-4-8-12/h2-10,26H,1H3,(H,21,23)(H,22,25)/b14-10+.
What are the key properties of (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione?
(3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione has a molecular weight of 377.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-anilino-4-hydroxy-1,3-thiazol-5-yl)methylidene]-8-methyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 15471561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).