1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid

C18H18N4O3S — CID 25053787

IUPAC1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)cc21
InChIInChI=1S/C18H18N4O3S/c1-20-11-14(17(24)25)16(23)13-3-2-12(10-15(13)20)21-5-7-22(8-6-21)18-19-4-9-26-18/h2-4,9-11H,5-8H2,1H3,(H,24,25)
InChIKeyYAEBAGQXQTYVGW-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.02
Rot. Bonds3

About 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid

1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid (PubChem CID 25053787) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid
PubChem CID25053787
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)cc21
InChIInChI=1S/C18H18N4O3S/c1-20-11-14(17(24)25)16(23)13-3-2-12(10-15(13)20)21-5-7-22(8-6-21)18-19-4-9-26-18/h2-4,9-11H,5-8H2,1H3,(H,24,25)
InChIKeyYAEBAGQXQTYVGW-UHFFFAOYSA-N
XLogP2.02
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid 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 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid (CID 25053787) is 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)cc21.
What is the InChIKey of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid?
The InChIKey is YAEBAGQXQTYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-20-11-14(17(24)25)16(23)13-3-2-12(10-15(13)20)21-5-7-22(8-6-21)18-19-4-9-26-18/h2-4,9-11H,5-8H2,1H3,(H,24,25).
What are the key properties of 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid?
1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 25053787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).