7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C22H20ClFN4 — CID 10620679

IUPAC7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc(CN2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C22H20ClFN4/c23-17-5-8-20-19(14-17)25-22(21-2-1-9-28(20)21)27-12-10-26(11-13-27)15-16-3-6-18(24)7-4-16/h1-9,14H,10-13,15H2
InChIKeyBUOWEEIISDGZDM-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.60
Rot. Bonds3

About 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 10620679) has the molecular formula C22H20ClFN4 and a molecular weight of 394.88 g/mol. Its IUPAC name is 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID10620679
Molecular FormulaC22H20ClFN4
Molecular Weight394.88 g/mol
Exact Mass394.14
IUPAC Name7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc(CN2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1
InChIInChI=1S/C22H20ClFN4/c23-17-5-8-20-19(14-17)25-22(21-2-1-9-28(20)21)27-12-10-26(11-13-27)15-16-3-6-18(24)7-4-16/h1-9,14H,10-13,15H2
InChIKeyBUOWEEIISDGZDM-UHFFFAOYSA-N
XLogP4.60
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 10620679) is 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1ccc(CN2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1.
What is the InChIKey of 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is BUOWEEIISDGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4/c23-17-5-8-20-19(14-17)25-22(21-2-1-9-28(20)21)27-12-10-26(11-13-27)15-16-3-6-18(24)7-4-16/h1-9,14H,10-13,15H2.
What are the key properties of 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 394.88 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10620679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).