2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile

C17H12ClN3 — CID 43347935

IUPAC2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C17H12ClN3/c18-16-9-15(7-6-13(16)10-19)21-11-14-4-1-3-12-5-2-8-20-17(12)14/h1-9,21H,11H2
InChIKeyXCNVKHHBSLQFEK-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile

2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile (PubChem CID 43347935) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
PubChem CID43347935
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C17H12ClN3/c18-16-9-15(7-6-13(16)10-19)21-11-14-4-1-3-12-5-2-8-20-17(12)14/h1-9,21H,11H2
InChIKeyXCNVKHHBSLQFEK-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

3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
CID 106832844
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978
2-chloro-4-[(2-nitrophenyl)methylamino]benzonitrile
CID 43347941
2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile
CID 78997573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile?
The IUPAC name of 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile (CID 43347935) is 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile?
The canonical SMILES for 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile is N#Cc1ccc(NCc2cccc3cccnc23)cc1Cl.
What is the InChIKey of 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile?
The InChIKey is XCNVKHHBSLQFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-16-9-15(7-6-13(16)10-19)21-11-14-4-1-3-12-5-2-8-20-17(12)14/h1-9,21H,11H2.
What are the key properties of 2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile?
2-chloro-4-(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-4-(quinolin-8-ylmethylamino)benzonitrile is sourced from PubChem (CID 43347935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).