4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid

C19H19F3N4O4 — CID 10070972

IUPAC4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid
SMILESCN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H17F3N4.C2H2O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;3-1(4)2(5)6/h2-6,11H,7-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyRRTXUQKIVYYULV-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.41
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid

4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid (PubChem CID 10070972) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid
PubChem CID10070972
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC Name4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid
SMILESCN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H17F3N4.C2H2O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;3-1(4)2(5)6/h2-6,11H,7-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyRRTXUQKIVYYULV-UHFFFAOYSA-N
XLogP2.41
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic 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 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid (CID 10070972) is 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid is CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid?
The InChIKey is RRTXUQKIVYYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4.C2H2O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;3-1(4)2(5)6/h2-6,11H,7-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid?
4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid has a molecular weight of 424.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline;oxalic acid is sourced from PubChem (CID 10070972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).