N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine

C16H12BrClN2 — CID 43731668

IUPACN-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
SMILESClc1ccc(NCc2ccc(Br)cc2)c2cccnc12
InChIInChI=1S/C16H12BrClN2/c17-12-5-3-11(4-6-12)10-20-15-8-7-14(18)16-13(15)2-1-9-19-16/h1-9,20H,10H2
InChIKeyMXRURGRFWPQZHX-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.26
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine

N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine (PubChem CID 43731668) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
PubChem CID43731668
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC NameN-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
SMILESClc1ccc(NCc2ccc(Br)cc2)c2cccnc12
InChIInChI=1S/C16H12BrClN2/c17-12-5-3-11(4-6-12)10-20-15-8-7-14(18)16-13(15)2-1-9-19-16/h1-9,20H,10H2
InChIKeyMXRURGRFWPQZHX-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

3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
CID 43788302
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
8-chloro-N-heptylquinolin-5-amine
CID 43731731
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
CID 66132568
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine (CID 43731668) is N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine is Clc1ccc(NCc2ccc(Br)cc2)c2cccnc12.
What is the InChIKey of N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine?
The InChIKey is MXRURGRFWPQZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-12-5-3-11(4-6-12)10-20-15-8-7-14(18)16-13(15)2-1-9-19-16/h1-9,20H,10H2.
What are the key properties of N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine?
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine 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 N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine is sourced from PubChem (CID 43731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).