4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline

C16H11BrCl2N2 — CID 115959103

IUPAC4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
SMILESClc1cc(Br)ccc1NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H11BrCl2N2/c17-11-4-6-15(14(19)8-11)21-9-10-3-5-13(18)12-2-1-7-20-16(10)12/h1-8,21H,9H2
InChIKeyDONWSJAOEKWMAZ-UHFFFAOYSA-N
MW382.09 g/mol
LogP5.92
Rot. Bonds3

About 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline

4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline (PubChem CID 115959103) has the molecular formula C16H11BrCl2N2 and a molecular weight of 382.09 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
PubChem CID115959103
Molecular FormulaC16H11BrCl2N2
Molecular Weight382.09 g/mol
Exact Mass379.95
IUPAC Name4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
SMILESClc1cc(Br)ccc1NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H11BrCl2N2/c17-11-4-6-15(14(19)8-11)21-9-10-3-5-13(18)12-2-1-7-20-16(10)12/h1-8,21H,9H2
InChIKeyDONWSJAOEKWMAZ-UHFFFAOYSA-N
XLogP5.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.09
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415619
4-bromo-2-chloro-N-(quinolin-4-ylmethyl)aniline
CID 63866864
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline (CID 115959103) is 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline is Clc1cc(Br)ccc1NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline?
The InChIKey is DONWSJAOEKWMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2/c17-11-4-6-15(14(19)8-11)21-9-10-3-5-13(18)12-2-1-7-20-16(10)12/h1-8,21H,9H2.
What are the key properties of 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline?
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline has a molecular weight of 382.09 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline is sourced from PubChem (CID 115959103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).