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

C20H19FN4O — CID 10712829

IUPAC7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(Cc3ccco3)CC1)c1cccn12
InChIInChI=1S/C20H19FN4O/c21-15-5-6-18-17(13-15)22-20(19-4-1-7-25(18)19)24-10-8-23(9-11-24)14-16-3-2-12-26-16/h1-7,12-13H,8-11,14H2
InChIKeyJVWDIVYJDNVJIC-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.54
Rot. Bonds3

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

7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 10712829) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID10712829
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(Cc3ccco3)CC1)c1cccn12
InChIInChI=1S/C20H19FN4O/c21-15-5-6-18-17(13-15)22-20(19-4-1-7-25(18)19)24-10-8-23(9-11-24)14-16-3-2-12-26-16/h1-7,12-13H,8-11,14H2
InChIKeyJVWDIVYJDNVJIC-UHFFFAOYSA-N
XLogP3.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 10712829) is 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1ccc2c(c1)nc(N1CCN(Cc3ccco3)CC1)c1cccn12.
What is the InChIKey of 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is JVWDIVYJDNVJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-5-6-18-17(13-15)22-20(19-4-1-7-25(18)19)24-10-8-23(9-11-24)14-16-3-2-12-26-16/h1-7,12-13H,8-11,14H2.
What are the key properties of 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 350.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10712829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).