4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile

C17H12ClN3 — CID 60927125

IUPAC4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C17H12ClN3/c18-15-7-8-16(17-14(15)2-1-9-20-17)21-11-13-5-3-12(10-19)4-6-13/h1-9,21H,11H2
InChIKeyJAMIVHGJHYCJIX-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.37
Rot. Bonds3

About 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile

4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile (PubChem CID 60927125) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
PubChem CID60927125
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C17H12ClN3/c18-15-7-8-16(17-14(15)2-1-9-20-17)21-11-13-5-3-12(10-19)4-6-13/h1-9,21H,11H2
InChIKeyJAMIVHGJHYCJIX-UHFFFAOYSA-N
XLogP4.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783996
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile
CID 116784057
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428
4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile (CID 60927125) is 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile is N#Cc1ccc(CNc2ccc(Cl)c3cccnc23)cc1.
What is the InChIKey of 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile?
The InChIKey is JAMIVHGJHYCJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-15-7-8-16(17-14(15)2-1-9-20-17)21-11-13-5-3-12(10-19)4-6-13/h1-9,21H,11H2.
What are the key properties of 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile?
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile has a molecular weight of 293.76 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 60927125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).