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

C16H12BrFN2 — CID 115958992

IUPACN-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H12BrFN2/c17-15-8-3-11(16-14(15)2-1-9-19-16)10-20-13-6-4-12(18)5-7-13/h1-9,20H,10H2
InChIKeyDQBSFBGNBNZMDV-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.75
Rot. Bonds3

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

N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline (PubChem CID 115958992) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
PubChem CID115958992
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H12BrFN2/c17-15-8-3-11(16-14(15)2-1-9-19-16)10-20-13-6-4-12(18)5-7-13/h1-9,20H,10H2
InChIKeyDQBSFBGNBNZMDV-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline 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

4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
N-[(5-bromoquinolin-8-yl)methyl]-3-chloro-2-fluoroaniline
CID 115959088
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline (CID 115958992) is N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ccc(Br)c3cccnc23)cc1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
The InChIKey is DQBSFBGNBNZMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-15-8-3-11(16-14(15)2-1-9-19-16)10-20-13-6-4-12(18)5-7-13/h1-9,20H,10H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline has a molecular weight of 331.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 115958992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).