2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile

C15H9ClN4 — CID 116784510

IUPAC2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H9ClN4/c16-12-5-6-13(14-11(12)4-2-7-18-14)20-15-10(9-17)3-1-8-19-15/h1-8H,(H,19,20)
InChIKeyOKNFEORREZYAEM-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.90
Rot. Bonds2

About 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile

2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile (PubChem CID 116784510) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
PubChem CID116784510
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H9ClN4/c16-12-5-6-13(14-11(12)4-2-7-18-14)20-15-10(9-17)3-1-8-19-15/h1-8H,(H,19,20)
InChIKeyOKNFEORREZYAEM-UHFFFAOYSA-N
XLogP3.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
CID 116784522
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
CID 114881447
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
8-chloroquinoline-5-carbonitrile
CID 119084135
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
2-(2-chloro-6-methylanilino)pyridine-3-carbonitrile
CID 66256473
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile (CID 116784510) is 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile is N#Cc1cccnc1Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile?
The InChIKey is OKNFEORREZYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-12-5-6-13(14-11(12)4-2-7-18-14)20-15-10(9-17)3-1-8-19-15/h1-8H,(H,19,20).
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile?
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile has a molecular weight of 280.72 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 116784510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).