2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile

C16H11ClN4 — CID 114766696

IUPAC2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C16H11ClN4/c1-10-7-11(9-18)8-15(20-10)21-14-5-4-13(17)12-3-2-6-19-16(12)14/h2-8H,1H3,(H,20,21)
InChIKeyIHRGNJCMDKIUCY-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.21
Rot. Bonds2

About 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile

2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114766696) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114766696
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C16H11ClN4/c1-10-7-11(9-18)8-15(20-10)21-14-5-4-13(17)12-3-2-6-19-16(12)14/h2-8H,1H3,(H,20,21)
InChIKeyIHRGNJCMDKIUCY-UHFFFAOYSA-N
XLogP4.21
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
CID 116784522
2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
CID 114881447
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile (CID 114766696) is 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is IHRGNJCMDKIUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-10-7-11(9-18)8-15(20-10)21-14-5-4-13(17)12-3-2-6-19-16(12)14/h2-8H,1H3,(H,20,21).
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile?
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 294.75 g/mol, XLogP of 4.21, 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]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).