2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline

C19H17BrClFN4 — CID 171702067

IUPAC2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline
SMILESFc1c(Br)cccc1CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H17BrClFN4/c20-15-3-1-2-13(19(15)22)12-25-6-8-26(9-7-25)18-11-23-17-10-14(21)4-5-16(17)24-18/h1-5,10-11H,6-9,12H2
InChIKeySZBQDYHCOMIMJC-UHFFFAOYSA-N
MW435.73 g/mol
LogP4.51
Rot. Bonds3

About 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline

2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline (PubChem CID 171702067) has the molecular formula C19H17BrClFN4 and a molecular weight of 435.73 g/mol. Its IUPAC name is 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline.

Molecular Properties

Compound Name2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline
PubChem CID171702067
Molecular FormulaC19H17BrClFN4
Molecular Weight435.73 g/mol
Exact Mass434.03
IUPAC Name2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline
SMILESFc1c(Br)cccc1CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H17BrClFN4/c20-15-3-1-2-13(19(15)22)12-25-6-8-26(9-7-25)18-11-23-17-10-14(21)4-5-16(17)24-18/h1-5,10-11H,6-9,12H2
InChIKeySZBQDYHCOMIMJC-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 171997685
6-chloro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 166601988
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171701475
6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 166601989
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline?
The IUPAC name of 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline (CID 171702067) is 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline.
What is the SMILES notation for 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline?
The canonical SMILES for 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline is Fc1c(Br)cccc1CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline?
The InChIKey is SZBQDYHCOMIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN4/c20-15-3-1-2-13(19(15)22)12-25-6-8-26(9-7-25)18-11-23-17-10-14(21)4-5-16(17)24-18/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline?
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline has a molecular weight of 435.73 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline is sourced from PubChem (CID 171702067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).