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

C21H13ClFN5 — CID 137431518

IUPAC3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
SMILESCc1c(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)cc(Cl)c2ncccc12
InChIInChI=1S/C21H13ClFN5/c1-11-14-3-2-8-26-19(14)16(22)9-15(11)20-18(12-4-6-13(23)7-5-12)28-21(25)17(10-24)27-20/h2-9H,1H3,(H2,25,28)
InChIKeyVOOJCGANAVBNMJ-UHFFFAOYSA-N
MW389.82 g/mol
LogP4.91
Rot. Bonds2

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

3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile (PubChem CID 137431518) has the molecular formula C21H13ClFN5 and a molecular weight of 389.82 g/mol. Its IUPAC name is 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
PubChem CID137431518
Molecular FormulaC21H13ClFN5
Molecular Weight389.82 g/mol
Exact Mass389.08
IUPAC Name3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile
SMILESCc1c(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)cc(Cl)c2ncccc12
InChIInChI=1S/C21H13ClFN5/c1-11-14-3-2-8-26-19(14)16(22)9-15(11)20-18(12-4-6-13(23)7-5-12)28-21(25)17(10-24)27-20/h2-9H,1H3,(H2,25,28)
InChIKeyVOOJCGANAVBNMJ-UHFFFAOYSA-N
XLogP4.91
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 54.91
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-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile (CID 137431518) is 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile is Cc1c(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)cc(Cl)c2ncccc12.
What is the InChIKey of 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
The InChIKey is VOOJCGANAVBNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5/c1-11-14-3-2-8-26-19(14)16(22)9-15(11)20-18(12-4-6-13(23)7-5-12)28-21(25)17(10-24)27-20/h2-9H,1H3,(H2,25,28).
What are the key properties of 3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile?
3-amino-6-(8-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile has a molecular weight of 389.82 g/mol, XLogP of 4.91, 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-chloro-5-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).