6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile

C19H13ClN4 — CID 133310729

IUPAC6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(Cl)cc12)c1ccc(C#N)cc1
InChIInChI=1S/C19H13ClN4/c1-12(14-4-2-13(9-21)3-5-14)24-19-15(10-22)11-23-18-7-6-16(20)8-17(18)19/h2-8,11-12H,1H3,(H,23,24)
InChIKeyGTFVMBDZNAGCEB-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.80
Rot. Bonds3

About 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile

6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile (PubChem CID 133310729) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile
PubChem CID133310729
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC Name6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(Cl)cc12)c1ccc(C#N)cc1
InChIInChI=1S/C19H13ClN4/c1-12(14-4-2-13(9-21)3-5-14)24-19-15(10-22)11-23-18-7-6-16(20)8-17(18)19/h2-8,11-12H,1H3,(H,23,24)
InChIKeyGTFVMBDZNAGCEB-UHFFFAOYSA-N
XLogP4.80
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-[(2-hydroxy-2,3-dimethylpentyl)amino]quinoline-3-carbonitrile
CID 133352675
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
CID 164556546
6-(5,6-diamino-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
CID 177022545
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
4-[1-(4-chloro-2-methylanilino)ethyl]benzonitrile
CID 43111374
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 65482779
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
6-methyl-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055600
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 55021440

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile (CID 133310729) is 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile is CC(Nc1c(C#N)cnc2ccc(Cl)cc12)c1ccc(C#N)cc1.
What is the InChIKey of 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile?
The InChIKey is GTFVMBDZNAGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4/c1-12(14-4-2-13(9-21)3-5-14)24-19-15(10-22)11-23-18-7-6-16(20)8-17(18)19/h2-8,11-12H,1H3,(H,23,24).
What are the key properties of 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile?
6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile has a molecular weight of 332.79 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[1-(4-cyanophenyl)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133310729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).