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

C20H11ClFN5 — CID 154604657

IUPAC3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1F
InChIInChI=1S/C20H11ClFN5/c21-15-8-13(7-11-4-2-6-25-18(11)15)19-20(27-16(24)10-26-19)14-5-1-3-12(9-23)17(14)22/h1-8,10H,(H2,24,27)
InChIKeyPDOAHVOSVXXESW-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.61
Rot. Bonds2

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

3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 154604657) has the molecular formula C20H11ClFN5 and a molecular weight of 375.79 g/mol. Its IUPAC name is 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID154604657
Molecular FormulaC20H11ClFN5
Molecular Weight375.79 g/mol
Exact Mass375.07
IUPAC Name3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1F
InChIInChI=1S/C20H11ClFN5/c21-15-8-13(7-11-4-2-6-25-18(11)15)19-20(27-16(24)10-26-19)14-5-1-3-12(9-23)17(14)22/h1-8,10H,(H2,24,27)
InChIKeyPDOAHVOSVXXESW-UHFFFAOYSA-N
XLogP4.61
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 54.61
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]-2-fluorobenzonitrile?
The IUPAC name of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile (CID 154604657) is 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile is N#Cc1cccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)c1F.
What is the InChIKey of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is PDOAHVOSVXXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN5/c21-15-8-13(7-11-4-2-6-25-18(11)15)19-20(27-16(24)10-26-19)14-5-1-3-12(9-23)17(14)22/h1-8,10H,(H2,24,27).
What are the key properties of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 375.79 g/mol, XLogP of 4.61, 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]-2-fluorobenzonitrile is sourced from PubChem (CID 154604657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).