3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile

C20H12ClN5 — CID 154604502

IUPAC3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1
InChIInChI=1S/C20H12ClN5/c21-16-9-15(8-14-5-2-6-24-18(14)16)19-20(26-17(23)11-25-19)13-4-1-3-12(7-13)10-22/h1-9,11H,(H2,23,26)
InChIKeySLXAITZAJQTZKD-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.47
Rot. Bonds2

About 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile

3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile (PubChem CID 154604502) has the molecular formula C20H12ClN5 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile
PubChem CID154604502
Molecular FormulaC20H12ClN5
Molecular Weight357.80 g/mol
Exact Mass357.08
IUPAC Name3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1
InChIInChI=1S/C20H12ClN5/c21-16-9-15(8-14-5-2-6-24-18(14)16)19-20(26-17(23)11-25-19)13-4-1-3-12(7-13)10-22/h1-9,11H,(H2,23,26)
InChIKeySLXAITZAJQTZKD-UHFFFAOYSA-N
XLogP4.47
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile?
The IUPAC name of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile (CID 154604502) is 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile?
The canonical SMILES for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile is N#Cc1cccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1.
What is the InChIKey of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile?
The InChIKey is SLXAITZAJQTZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5/c21-16-9-15(8-14-5-2-6-24-18(14)16)19-20(26-17(23)11-25-19)13-4-1-3-12(7-13)10-22/h1-9,11H,(H2,23,26).
What are the key properties of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile?
3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile has a molecular weight of 357.80 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 154604502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).