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

C26H29FN6O — CID 166450613

IUPACN'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide
SMILESCC(C)N1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc4cc(F)ccc4n23)CC1
InChIInChI=1S/C26H29FN6O/c1-18(2)32-14-12-31(13-15-32)17-21-9-11-24-25(29-30-26(34)19-6-4-3-5-7-19)28-22-16-20(27)8-10-23(22)33(21)24/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,29)(H,30,34)
InChIKeyWPTOXQNMYGPLHK-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.91
Rot. Bonds6

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

N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide (PubChem CID 166450613) has the molecular formula C26H29FN6O and a molecular weight of 460.56 g/mol. Its IUPAC name is N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide
PubChem CID166450613
Molecular FormulaC26H29FN6O
Molecular Weight460.56 g/mol
Exact Mass460.24
IUPAC NameN'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide
SMILESCC(C)N1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc4cc(F)ccc4n23)CC1
InChIInChI=1S/C26H29FN6O/c1-18(2)32-14-12-31(13-15-32)17-21-9-11-24-25(29-30-26(34)19-6-4-3-5-7-19)28-22-16-20(27)8-10-23(22)33(21)24/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,29)(H,30,34)
InChIKeyWPTOXQNMYGPLHK-UHFFFAOYSA-N
XLogP3.91
TPSA64.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.91
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-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
The IUPAC name of N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide (CID 166450613) is N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
The canonical SMILES for N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide is CC(C)N1CCN(Cc2ccc3c(NNC(=O)c4ccccc4)nc4cc(F)ccc4n23)CC1.
What is the InChIKey of N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
The InChIKey is WPTOXQNMYGPLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O/c1-18(2)32-14-12-31(13-15-32)17-21-9-11-24-25(29-30-26(34)19-6-4-3-5-7-19)28-22-16-20(27)8-10-23(22)33(21)24/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,29)(H,30,34).
What are the key properties of N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide?
N'-[7-fluoro-1-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide has a molecular weight of 460.56 g/mol, XLogP of 3.91, 6 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-propan-2-ylpiperazin-1-yl)methyl]pyrrolo[1,2-a]quinoxalin-4-yl]benzohydrazide is sourced from PubChem (CID 166450613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).