2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile

C16H9BrClN3 — CID 114881447

IUPAC2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
SMILESN#Cc1c(Br)cccc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H9BrClN3/c17-12-4-1-5-14(11(12)9-19)21-15-7-6-13(18)10-3-2-8-20-16(10)15/h1-8,21H
InChIKeyRJJPSRREILFWRF-UHFFFAOYSA-N
MW358.63 g/mol
LogP5.27
Rot. Bonds2

About 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile

2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile (PubChem CID 114881447) has the molecular formula C16H9BrClN3 and a molecular weight of 358.63 g/mol. Its IUPAC name is 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
PubChem CID114881447
Molecular FormulaC16H9BrClN3
Molecular Weight358.63 g/mol
Exact Mass356.97
IUPAC Name2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
SMILESN#Cc1c(Br)cccc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H9BrClN3/c17-12-4-1-5-14(11(12)9-19)21-15-7-6-13(18)10-3-2-8-20-16(10)15/h1-8,21H
InChIKeyRJJPSRREILFWRF-UHFFFAOYSA-N
XLogP5.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.63
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
CID 116784522
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-bromo-6-[(4-methyl-3-pyridinyl)amino]benzonitrile
CID 114881036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile?
The IUPAC name of 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile (CID 114881447) is 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile?
The canonical SMILES for 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile is N#Cc1c(Br)cccc1Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile?
The InChIKey is RJJPSRREILFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClN3/c17-12-4-1-5-14(11(12)9-19)21-15-7-6-13(18)10-3-2-8-20-16(10)15/h1-8,21H.
What are the key properties of 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile?
2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile has a molecular weight of 358.63 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile is sourced from PubChem (CID 114881447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).