N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide

C24H25FN6O — CID 166450661

IUPACN'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide
SMILESCN1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc4cc(F)ccc4n23)CC1
InChIInChI=1S/C24H25FN6O/c1-29-11-13-30(14-12-29)16-19-8-10-22-23(27-28-24(32)17-5-3-2-4-6-17)26-20-15-18(25)7-9-21(20)31(19)22/h2-10,15H,11-14,16H2,1H3,(H,26,27)(H,28,32)
InChIKeyJGZCWPZRBCOMDP-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.13
Rot. Bonds5

About N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide

N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide (PubChem CID 166450661) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide
PubChem CID166450661
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC NameN'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide
SMILESCN1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc4cc(F)ccc4n23)CC1
InChIInChI=1S/C24H25FN6O/c1-29-11-13-30(14-12-29)16-19-8-10-22-23(27-28-24(32)17-5-3-2-4-6-17)26-20-15-18(25)7-9-21(20)31(19)22/h2-10,15H,11-14,16H2,1H3,(H,26,27)(H,28,32)
InChIKeyJGZCWPZRBCOMDP-UHFFFAOYSA-N
XLogP3.13
TPSA64.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide 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 N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
The IUPAC name of N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide (CID 166450661) is N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
The canonical SMILES for N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide is CN1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc4cc(F)ccc4n23)CC1.
What is the InChIKey of N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
The InChIKey is JGZCWPZRBCOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-29-11-13-30(14-12-29)16-19-8-10-22-23(27-28-24(32)17-5-3-2-4-6-17)26-20-15-18(25)7-9-21(20)31(19)22/h2-10,15H,11-14,16H2,1H3,(H,26,27)(H,28,32).
What are the key properties of N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide has a molecular weight of 432.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-fluoro-1-[(4-methylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide is sourced from PubChem (CID 166450661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).