3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile

C20H12BrN5 — CID 154604788

IUPAC3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c(Br)nc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C20H12BrN5/c21-19-20(23)26-18(14-4-1-3-12(9-14)11-22)17(25-19)15-6-7-16-13(10-15)5-2-8-24-16/h1-10H,(H2,23,26)
InChIKeyQKZFURCQGIRHNF-UHFFFAOYSA-N
MW402.26 g/mol
LogP4.58
Rot. Bonds2

About 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile

3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile (PubChem CID 154604788) has the molecular formula C20H12BrN5 and a molecular weight of 402.26 g/mol. Its IUPAC name is 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
PubChem CID154604788
Molecular FormulaC20H12BrN5
Molecular Weight402.26 g/mol
Exact Mass401.03
IUPAC Name3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c(Br)nc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C20H12BrN5/c21-19-20(23)26-18(14-4-1-3-12(9-14)11-22)17(25-19)15-6-7-16-13(10-15)5-2-8-24-16/h1-10H,(H2,23,26)
InChIKeyQKZFURCQGIRHNF-UHFFFAOYSA-N
XLogP4.58
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658298
3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137431828
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430735
3-quinolin-8-ylbenzonitrile
CID 4189045
3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430263
6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
CID 154604405
3-amino-N-[1-(3-cyanophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657884
N'-[3-acetyl-6-(3-cyanophenyl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 172798162
3-[3-[4-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]phenyl]quinoxalin-2-yl]benzonitrile
CID 146986585

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile?
The IUPAC name of 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile (CID 154604788) is 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile.
What is the SMILES notation for 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile?
The canonical SMILES for 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile is N#Cc1cccc(-c2nc(N)c(Br)nc2-c2ccc3ncccc3c2)c1.
What is the InChIKey of 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile?
The InChIKey is QKZFURCQGIRHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrN5/c21-19-20(23)26-18(14-4-1-3-12(9-14)11-22)17(25-19)15-6-7-16-13(10-15)5-2-8-24-16/h1-10H,(H2,23,26).
What are the key properties of 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile?
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile has a molecular weight of 402.26 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile is sourced from PubChem (CID 154604788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).