7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline

C18H15F6N5 — CID 143957737

IUPAC7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline
SMILESCN1CCN(c2nc3c(F)cc(C(F)(F)C(F)(F)F)cc3c3nccnc23)CC1
InChIInChI=1S/C18H15F6N5/c1-28-4-6-29(7-5-28)16-15-14(25-2-3-26-15)11-8-10(9-12(19)13(11)27-16)17(20,21)18(22,23)24/h2-3,8-9H,4-7H2,1H3
InChIKeyYVCQXCDFRDBRSJ-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.72
Rot. Bonds2

About 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline

7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline (PubChem CID 143957737) has the molecular formula C18H15F6N5 and a molecular weight of 415.34 g/mol. Its IUPAC name is 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline.

Molecular Properties

Compound Name7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline
PubChem CID143957737
Molecular FormulaC18H15F6N5
Molecular Weight415.34 g/mol
Exact Mass415.12
IUPAC Name7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline
SMILESCN1CCN(c2nc3c(F)cc(C(F)(F)C(F)(F)F)cc3c3nccnc23)CC1
InChIInChI=1S/C18H15F6N5/c1-28-4-6-29(7-5-28)16-15-14(25-2-3-26-15)11-8-10(9-12(19)13(11)27-16)17(20,21)18(22,23)24/h2-3,8-9H,4-7H2,1H3
InChIKeyYVCQXCDFRDBRSJ-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline 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

8-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline
CID 143957667
4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
CID 143957660
6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350
7-fluoro-8-(4-methyl-1,4-diazepan-1-yl)quinolin-5-amine
CID 83173958
6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline
CID 4124471
6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline
CID 70909087
8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
CID 11682208
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline?
The IUPAC name of 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline (CID 143957737) is 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline.
What is the SMILES notation for 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline?
The canonical SMILES for 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline is CN1CCN(c2nc3c(F)cc(C(F)(F)C(F)(F)F)cc3c3nccnc23)CC1.
What is the InChIKey of 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline?
The InChIKey is YVCQXCDFRDBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5/c1-28-4-6-29(7-5-28)16-15-14(25-2-3-26-15)11-8-10(9-12(19)13(11)27-16)17(20,21)18(22,23)24/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline?
7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline has a molecular weight of 415.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline is sourced from PubChem (CID 143957737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).