2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile

C17H12ClN3 — CID 81426754

IUPAC2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1cccc2cccnc12
InChIInChI=1S/C17H12ClN3/c18-15-7-2-8-16(14(15)10-19)21-11-13-5-1-4-12-6-3-9-20-17(12)13/h1-9,21H,11H2
InChIKeyOKBZLWWAQMUAOL-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile

2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile (PubChem CID 81426754) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
PubChem CID81426754
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1cccc2cccnc12
InChIInChI=1S/C17H12ClN3/c18-15-7-2-8-16(14(15)10-19)21-11-13-5-1-4-12-6-3-9-20-17(12)13/h1-9,21H,11H2
InChIKeyOKBZLWWAQMUAOL-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 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile 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

3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
CID 43347935
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
N-(quinolin-8-ylmethyl)aniline
CID 28610045
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile?
The IUPAC name of 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile (CID 81426754) is 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile?
The canonical SMILES for 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile is N#Cc1c(Cl)cccc1NCc1cccc2cccnc12.
What is the InChIKey of 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile?
The InChIKey is OKBZLWWAQMUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-15-7-2-8-16(14(15)10-19)21-11-13-5-1-4-12-6-3-9-20-17(12)13/h1-9,21H,11H2.
What are the key properties of 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile?
2-chloro-6-(quinolin-8-ylmethylamino)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 2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile is sourced from PubChem (CID 81426754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).