7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C19H19FN6 — CID 44541937

IUPAC7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn12
InChIInChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22)
InChIKeyBRNJLENJYHXKEL-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.67
Rot. Bonds3

About 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 44541937) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID44541937
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn12
InChIInChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22)
InChIKeyBRNJLENJYHXKEL-UHFFFAOYSA-N
XLogP2.67
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 44541937) is 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn12.
What is the InChIKey of 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is BRNJLENJYHXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22).
What are the key properties of 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 350.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 44541937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).