6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one

C17H19N5OS — CID 44569128

IUPAC6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one
SMILESCn1ccc(=O)c2cc(N)c(N3CCN(c4nccs4)CC3)cc21
InChIInChI=1S/C17H19N5OS/c1-20-4-2-16(23)12-10-13(18)15(11-14(12)20)21-5-7-22(8-6-21)17-19-3-9-24-17/h2-4,9-11H,5-8,18H2,1H3
InChIKeyKOWYIWUOEWEABR-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.90
Rot. Bonds2

About 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one

6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one (PubChem CID 44569128) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one.

Molecular Properties

Compound Name6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one
PubChem CID44569128
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one
SMILESCn1ccc(=O)c2cc(N)c(N3CCN(c4nccs4)CC3)cc21
InChIInChI=1S/C17H19N5OS/c1-20-4-2-16(23)12-10-13(18)15(11-14(12)20)21-5-7-22(8-6-21)17-19-3-9-24-17/h2-4,9-11H,5-8,18H2,1H3
InChIKeyKOWYIWUOEWEABR-UHFFFAOYSA-N
XLogP1.90
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 70681602
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 70683717
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-2-carboxamide
CID 70681603
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 71614506
6-Amino-1-methyl-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 3012839
6-amino-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)-1H-quinoline-3-carboxylic acid
CID 25053732
1-Methyl-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 25053787
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(thiazol-2-yl)-1,4-dihydroquinoline-3-carboxamide
CID 17028119
6,8-difluoro-7-(4-methyl-1-piperazinyl)-1-(1,3-thiazol-2-yl)-4(1H)-quinolinone
CID 23854047
1-methyl-7-(thiazol-2-ylamino)-2-(trifluoromethyl)quinolin-4(1H)-one
CID 166517241
1-Methyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(trifluoromethyl)quinolin-4-one
CID 166517297
7-[(5-Acetyl-1,3-thiazol-2-yl)amino]-1-methyl-2-(trifluoromethyl)quinolin-4-one
CID 166517303

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one?
The IUPAC name of 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one (CID 44569128) is 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one.
What is the SMILES notation for 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one?
The canonical SMILES for 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one is Cn1ccc(=O)c2cc(N)c(N3CCN(c4nccs4)CC3)cc21.
What is the InChIKey of 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one?
The InChIKey is KOWYIWUOEWEABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-20-4-2-16(23)12-10-13(18)15(11-14(12)20)21-5-7-22(8-6-21)17-19-3-9-24-17/h2-4,9-11H,5-8,18H2,1H3.
What are the key properties of 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one?
6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one has a molecular weight of 341.44 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one is sourced from PubChem (CID 44569128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).