4-(benzylamino)-6-chloroquinoline-3-carbonitrile

C17H12ClN3 — CID 27371495

IUPAC4-(benzylamino)-6-chloroquinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1
InChIInChI=1S/C17H12ClN3/c18-14-6-7-16-15(8-14)17(13(9-19)11-20-16)21-10-12-4-2-1-3-5-12/h1-8,11H,10H2,(H,20,21)
InChIKeyUGFFJSQUELWVHX-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.37
Rot. Bonds3

About 4-(benzylamino)-6-chloroquinoline-3-carbonitrile

4-(benzylamino)-6-chloroquinoline-3-carbonitrile (PubChem CID 27371495) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-(benzylamino)-6-chloroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(benzylamino)-6-chloroquinoline-3-carbonitrile
PubChem CID27371495
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name4-(benzylamino)-6-chloroquinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1
InChIInChI=1S/C17H12ClN3/c18-14-6-7-16-15(8-14)17(13(9-19)11-20-16)21-10-12-4-2-1-3-5-12/h1-8,11H,10H2,(H,20,21)
InChIKeyUGFFJSQUELWVHX-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

Analyze 4-(benzylamino)-6-chloroquinoline-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

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-chloroquinoline-3-carbonitrile?
The IUPAC name of 4-(benzylamino)-6-chloroquinoline-3-carbonitrile (CID 27371495) is 4-(benzylamino)-6-chloroquinoline-3-carbonitrile.
What is the SMILES notation for 4-(benzylamino)-6-chloroquinoline-3-carbonitrile?
The canonical SMILES for 4-(benzylamino)-6-chloroquinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-6-chloroquinoline-3-carbonitrile?
The InChIKey is UGFFJSQUELWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-14-6-7-16-15(8-14)17(13(9-19)11-20-16)21-10-12-4-2-1-3-5-12/h1-8,11H,10H2,(H,20,21).
What are the key properties of 4-(benzylamino)-6-chloroquinoline-3-carbonitrile?
4-(benzylamino)-6-chloroquinoline-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-(benzylamino)-6-chloroquinoline-3-carbonitrile is sourced from PubChem (CID 27371495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).