6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline

C17H15ClF2N6 — CID 171997685

IUPAC6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
SMILESFC(F)c1cc(N2CCN(c3cnc4cc(Cl)ccc4n3)CC2)ncn1
InChIInChI=1S/C17H15ClF2N6/c18-11-1-2-12-13(7-11)21-9-16(24-12)26-5-3-25(4-6-26)15-8-14(17(19)20)22-10-23-15/h1-2,7-10,17H,3-6H2
InChIKeyCIJDUZADSCXRTL-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.34
Rot. Bonds3

About 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline

6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline (PubChem CID 171997685) has the molecular formula C17H15ClF2N6 and a molecular weight of 376.80 g/mol. Its IUPAC name is 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
PubChem CID171997685
Molecular FormulaC17H15ClF2N6
Molecular Weight376.80 g/mol
Exact Mass376.10
IUPAC Name6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
SMILESFC(F)c1cc(N2CCN(c3cnc4cc(Cl)ccc4n3)CC2)ncn1
InChIInChI=1S/C17H15ClF2N6/c18-11-1-2-12-13(7-11)21-9-16(24-12)26-5-3-25(4-6-26)15-8-14(17(19)20)22-10-23-15/h1-2,7-10,17H,3-6H2
InChIKeyCIJDUZADSCXRTL-UHFFFAOYSA-N
XLogP3.34
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline (CID 171997685) is 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline is FC(F)c1cc(N2CCN(c3cnc4cc(Cl)ccc4n3)CC2)ncn1.
What is the InChIKey of 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The InChIKey is CIJDUZADSCXRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N6/c18-11-1-2-12-13(7-11)21-9-16(24-12)26-5-3-25(4-6-26)15-8-14(17(19)20)22-10-23-15/h1-2,7-10,17H,3-6H2.
What are the key properties of 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline has a molecular weight of 376.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 171997685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).