3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile

C20H11ClFN5 — CID 137431224

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C20H11ClFN5/c21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19/h1-9H,(H2,24,27)
InChIKeyQIAZYDZFLMVKAL-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.61
Rot. Bonds2

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile

3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile (PubChem CID 137431224) has the molecular formula C20H11ClFN5 and a molecular weight of 375.79 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
PubChem CID137431224
Molecular FormulaC20H11ClFN5
Molecular Weight375.79 g/mol
Exact Mass375.07
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C20H11ClFN5/c21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19/h1-9H,(H2,24,27)
InChIKeyQIAZYDZFLMVKAL-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-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile (CID 137431224) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
The InChIKey is QIAZYDZFLMVKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN5/c21-15-9-13(8-12-2-1-7-25-17(12)15)19-18(11-3-5-14(22)6-4-11)27-20(24)16(10-23)26-19/h1-9H,(H2,24,27).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile 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-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).