3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile

C20H11ClFN5 — CID 137430735

IUPAC3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccc(Cl)c(F)c2)nc1N
InChIInChI=1S/C20H11ClFN5/c21-14-5-3-13(9-15(14)22)19-18(26-17(10-23)20(24)27-19)12-4-6-16-11(8-12)2-1-7-25-16/h1-9H,(H2,24,27)
InChIKeyWHCULNYVGVLGNC-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.61
Rot. Bonds2

About 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile

3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 137430735) has the molecular formula C20H11ClFN5 and a molecular weight of 375.79 g/mol. Its IUPAC name is 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID137430735
Molecular FormulaC20H11ClFN5
Molecular Weight375.79 g/mol
Exact Mass375.07
IUPAC Name3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccc(Cl)c(F)c2)nc1N
InChIInChI=1S/C20H11ClFN5/c21-14-5-3-13(9-15(14)22)19-18(26-17(10-23)20(24)27-19)12-4-6-16-11(8-12)2-1-7-25-16/h1-9H,(H2,24,27)
InChIKeyWHCULNYVGVLGNC-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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Related Compounds

3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137431828
3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430263
3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137430883
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
1-chloro-4-quinolin-6-ylphthalazine
CID 81230738
7-(4-fluorophenyl)-8-quinolin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 146801526
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 137430735) is 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile is N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccc(Cl)c(F)c2)nc1N.
What is the InChIKey of 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is WHCULNYVGVLGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN5/c21-14-5-3-13(9-15(14)22)19-18(26-17(10-23)20(24)27-19)12-4-6-16-11(8-12)2-1-7-25-16/h1-9H,(H2,24,27).
What are the key properties of 3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-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-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 137430735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).