2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline

C16H12BrClN2 — CID 81263311

IUPAC2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
SMILESClc1ccc(NCc2ccc3ncccc3c2)c(Br)c1
InChIInChI=1S/C16H12BrClN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,20H,10H2
InChIKeyAVQWSHMZJVGOFS-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.26
Rot. Bonds3

About 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline

2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline (PubChem CID 81263311) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
PubChem CID81263311
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
SMILESClc1ccc(NCc2ccc3ncccc3c2)c(Br)c1
InChIInChI=1S/C16H12BrClN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,20H,10H2
InChIKeyAVQWSHMZJVGOFS-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
CID 171090525
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672441
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline (CID 81263311) is 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline is Clc1ccc(NCc2ccc3ncccc3c2)c(Br)c1.
What is the InChIKey of 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline?
The InChIKey is AVQWSHMZJVGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,20H,10H2.
What are the key properties of 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline?
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline has a molecular weight of 347.64 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline is sourced from PubChem (CID 81263311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).