4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline

C16H12Br2N2 — CID 115958989

IUPAC4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
SMILESBrc1ccc(NCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H12Br2N2/c17-12-4-6-13(7-5-12)20-10-11-3-8-15(18)14-2-1-9-19-16(11)14/h1-9,20H,10H2
InChIKeyWUUWDVXKXWIDQU-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.37
Rot. Bonds3

About 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline

4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline (PubChem CID 115958989) has the molecular formula C16H12Br2N2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
PubChem CID115958989
Molecular FormulaC16H12Br2N2
Molecular Weight392.09 g/mol
Exact Mass389.94
IUPAC Name4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
SMILESBrc1ccc(NCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H12Br2N2/c17-12-4-6-13(7-5-12)20-10-11-3-8-15(18)14-2-1-9-19-16(11)14/h1-9,20H,10H2
InChIKeyWUUWDVXKXWIDQU-UHFFFAOYSA-N
XLogP5.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline?
The IUPAC name of 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline (CID 115958989) is 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline?
The canonical SMILES for 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline is Brc1ccc(NCc2ccc(Br)c3cccnc23)cc1.
What is the InChIKey of 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline?
The InChIKey is WUUWDVXKXWIDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2/c17-12-4-6-13(7-5-12)20-10-11-3-8-15(18)14-2-1-9-19-16(11)14/h1-9,20H,10H2.
What are the key properties of 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline?
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline has a molecular weight of 392.09 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline is sourced from PubChem (CID 115958989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).