2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile

C17H12BrN3 — CID 114880986

IUPAC2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
SMILESCc1ccc2cccc(Nc3cccc(Br)c3C#N)c2n1
InChIInChI=1S/C17H12BrN3/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-15-6-3-5-14(18)13(15)10-19/h2-9,21H,1H3
InChIKeyJIGJVMFBZOEALI-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.92
Rot. Bonds2

About 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile

2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile (PubChem CID 114880986) has the molecular formula C17H12BrN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
PubChem CID114880986
Molecular FormulaC17H12BrN3
Molecular Weight338.21 g/mol
Exact Mass337.02
IUPAC Name2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
SMILESCc1ccc2cccc(Nc3cccc(Br)c3C#N)c2n1
InChIInChI=1S/C17H12BrN3/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-15-6-3-5-14(18)13(15)10-19/h2-9,21H,1H3
InChIKeyJIGJVMFBZOEALI-UHFFFAOYSA-N
XLogP4.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 107276311
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 114881036
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 63510997
2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
CID 114881431
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 115487676
2-bromo-6-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 114880753
2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168606154
(2-methylquinolin-8-yl)hydrazine
CID 957615
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030
2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
CID 114881447

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile?
The IUPAC name of 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile (CID 114880986) is 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile is Cc1ccc2cccc(Nc3cccc(Br)c3C#N)c2n1.
What is the InChIKey of 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile?
The InChIKey is JIGJVMFBZOEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-15-6-3-5-14(18)13(15)10-19/h2-9,21H,1H3.
What are the key properties of 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile?
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile has a molecular weight of 338.21 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile is sourced from PubChem (CID 114880986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).