5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C15H12N2O5S — CID 171369022

IUPAC5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCOc1cc2c(cc1OC)=NC(=O)/C(=C\c1sc(=O)[nH]c1O)C=2
InChIInChI=1S/C15H12N2O5S/c1-21-10-4-7-3-8(5-12-14(19)17-15(20)23-12)13(18)16-9(7)6-11(10)22-2/h3-6,19H,1-2H3,(H,17,20)/b8-5-
InChIKeyCDPYCHQRTRIDOZ-YVMONPNESA-N
MW332.34 g/mol
LogP0.18
Rot. Bonds3

About 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 171369022) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID171369022
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCOc1cc2c(cc1OC)=NC(=O)/C(=C\c1sc(=O)[nH]c1O)C=2
InChIInChI=1S/C15H12N2O5S/c1-21-10-4-7-3-8(5-12-14(19)17-15(20)23-12)13(18)16-9(7)6-11(10)22-2/h3-6,19H,1-2H3,(H,17,20)/b8-5-
InChIKeyCDPYCHQRTRIDOZ-YVMONPNESA-N
XLogP0.18
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 171369022) is 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is COc1cc2c(cc1OC)=NC(=O)/C(=C\c1sc(=O)[nH]c1O)C=2.
What is the InChIKey of 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is CDPYCHQRTRIDOZ-YVMONPNESA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-21-10-4-7-3-8(5-12-14(19)17-15(20)23-12)13(18)16-9(7)6-11(10)22-2/h3-6,19H,1-2H3,(H,17,20)/b8-5-.
What are the key properties of 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 332.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(6,7-dimethoxy-2-oxoquinolin-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 171369022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).