2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C19H14FN5 — CID 853286

IUPAC2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C19H14FN5/c20-13-7-5-12(6-8-13)9-10-25-18(22)14(11-21)17-19(25)24-16-4-2-1-3-15(16)23-17/h1-8H,9-10,22H2
InChIKeyMLRFWAUKRGIPTK-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.42
Rot. Bonds3

About 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 853286) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID853286
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C19H14FN5/c20-13-7-5-12(6-8-13)9-10-25-18(22)14(11-21)17-19(25)24-16-4-2-1-3-15(16)23-17/h1-8H,9-10,22H2
InChIKeyMLRFWAUKRGIPTK-UHFFFAOYSA-N
XLogP3.42
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 853286) is 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is MLRFWAUKRGIPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c20-13-7-5-12(6-8-13)9-10-25-18(22)14(11-21)17-19(25)24-16-4-2-1-3-15(16)23-17/h1-8H,9-10,22H2.
What are the key properties of 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 331.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 853286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).