10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide

C18H24FN5O2S — CID 147798190

IUPAC10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide
SMILESCN1CCN(C2=C(F)C=C3C(=O)C(C(=O)NN)=CN4CCSCC34C2)CC1
InChIInChI=1S/C18H24FN5O2S/c1-22-2-4-23(5-3-22)15-9-18-11-27-7-6-24(18)10-12(17(26)21-20)16(25)13(18)8-14(15)19/h8,10H,2-7,9,11,20H2,1H3,(H,21,26)
InChIKeyHKZKAZYXWYPPBN-UHFFFAOYSA-N
MW393.49 g/mol
LogP-0.01
Rot. Bonds2

About 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide

10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide (PubChem CID 147798190) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide.

Molecular Properties

Compound Name10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide
PubChem CID147798190
Molecular FormulaC18H24FN5O2S
Molecular Weight393.49 g/mol
Exact Mass393.16
IUPAC Name10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide
SMILESCN1CCN(C2=C(F)C=C3C(=O)C(C(=O)NN)=CN4CCSCC34C2)CC1
InChIInChI=1S/C18H24FN5O2S/c1-22-2-4-23(5-3-22)15-9-18-11-27-7-6-24(18)10-12(17(26)21-20)16(25)13(18)8-14(15)19/h8,10H,2-7,9,11,20H2,1H3,(H,21,26)
InChIKeyHKZKAZYXWYPPBN-UHFFFAOYSA-N
XLogP-0.01
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide 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

2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
7-fluoro-10-imino-6-(4-methylpiperazin-1-yl)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,11-triene-2,1'-cyclopropane]-11-carbohydrazide
CID 163659369
N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide
CID 141329713
2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)benzoic acid
CID 59743247
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
2,4-dichloro-N-(3-chloro-4-fluoro-5-methylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 160735202
1-(3,5-difluoro-4-methylphenyl)-4-methylpiperazine;ethane
CID 177032628
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
4-fluoro-3,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
CID 127046421
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 59250391

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide?
The IUPAC name of 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide (CID 147798190) is 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide.
What is the SMILES notation for 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide?
The canonical SMILES for 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide is CN1CCN(C2=C(F)C=C3C(=O)C(C(=O)NN)=CN4CCSCC34C2)CC1.
What is the InChIKey of 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide?
The InChIKey is HKZKAZYXWYPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-22-2-4-23(5-3-22)15-9-18-11-27-7-6-24(18)10-12(17(26)21-20)16(25)13(18)8-14(15)19/h8,10H,2-7,9,11,20H2,1H3,(H,21,26).
What are the key properties of 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide?
10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide has a molecular weight of 393.49 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-11-(4-methylpiperazin-1-yl)-8-oxo-1,3,4,12-tetrahydro-[1,4]thiazino[3,4-j]quinoline-7-carbohydrazide is sourced from PubChem (CID 147798190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).