N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine

C21H24FN5 — CID 52989689

IUPACN-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine
SMILESCN(CCCC1CC(c2ccc(F)cc2)NN1)c1cnc2ccccc2n1
InChIInChI=1S/C21H24FN5/c1-27(21-14-23-18-6-2-3-7-19(18)24-21)12-4-5-17-13-20(26-25-17)15-8-10-16(22)11-9-15/h2-3,6-11,14,17,20,25-26H,4-5,12-13H2,1H3
InChIKeyWSAUWQRSYIULJX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.59
Rot. Bonds6

About N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine

N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine (PubChem CID 52989689) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine
PubChem CID52989689
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC NameN-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine
SMILESCN(CCCC1CC(c2ccc(F)cc2)NN1)c1cnc2ccccc2n1
InChIInChI=1S/C21H24FN5/c1-27(21-14-23-18-6-2-3-7-19(18)24-21)12-4-5-17-13-20(26-25-17)15-8-10-16(22)11-9-15/h2-3,6-11,14,17,20,25-26H,4-5,12-13H2,1H3
InChIKeyWSAUWQRSYIULJX-UHFFFAOYSA-N
XLogP3.59
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine?
The IUPAC name of N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine (CID 52989689) is N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine?
The canonical SMILES for N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine is CN(CCCC1CC(c2ccc(F)cc2)NN1)c1cnc2ccccc2n1.
What is the InChIKey of N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine?
The InChIKey is WSAUWQRSYIULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-27(21-14-23-18-6-2-3-7-19(18)24-21)12-4-5-17-13-20(26-25-17)15-8-10-16(22)11-9-15/h2-3,6-11,14,17,20,25-26H,4-5,12-13H2,1H3.
What are the key properties of N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine?
N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylquinoxalin-2-amine is sourced from PubChem (CID 52989689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).