4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile

C17H12ClN3 — CID 43668942

IUPAC4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1ccccc1Cl
InChIInChI=1S/C17H12ClN3/c18-15-7-3-1-5-12(15)10-21-17-13(9-19)11-20-16-8-4-2-6-14(16)17/h1-8,11H,10H2,(H,20,21)
InChIKeyQATRPZUBAHYTIK-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.37
Rot. Bonds3

About 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile

4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile (PubChem CID 43668942) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
PubChem CID43668942
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1ccccc1Cl
InChIInChI=1S/C17H12ClN3/c18-15-7-3-1-5-12(15)10-21-17-13(9-19)11-20-16-8-4-2-6-14(16)17/h1-8,11H,10H2,(H,20,21)
InChIKeyQATRPZUBAHYTIK-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

4-[(2-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133275043
4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449169
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
CID 55258412
4-(1H-imidazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 64531887
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133310634
4-[(5-bromothiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 61012849
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile (CID 43668942) is 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is QATRPZUBAHYTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-15-7-3-1-5-12(15)10-21-17-13(9-19)11-20-16-8-4-2-6-14(16)17/h1-8,11H,10H2,(H,20,21).
What are the key properties of 4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile?
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile 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-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 43668942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).