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

C16H11Br2FN2 — CID 115959082

IUPAC2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)c3cccnc23)c(Br)c1
InChIInChI=1S/C16H11Br2FN2/c17-13-5-3-10(16-12(13)2-1-7-20-16)9-21-15-6-4-11(19)8-14(15)18/h1-8,21H,9H2
InChIKeyBUBOERDHPPNNIH-UHFFFAOYSA-N
MW410.08 g/mol
LogP5.51
Rot. Bonds3

About 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline

2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline (PubChem CID 115959082) has the molecular formula C16H11Br2FN2 and a molecular weight of 410.08 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
PubChem CID115959082
Molecular FormulaC16H11Br2FN2
Molecular Weight410.08 g/mol
Exact Mass407.93
IUPAC Name2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)c3cccnc23)c(Br)c1
InChIInChI=1S/C16H11Br2FN2/c17-13-5-3-10(16-12(13)2-1-7-20-16)9-21-15-6-4-11(19)8-14(15)18/h1-8,21H,9H2
InChIKeyBUBOERDHPPNNIH-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.08
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
N-[(5-bromoquinolin-8-yl)methyl]-3-chloro-2-fluoroaniline
CID 115959088
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline (CID 115959082) is 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ccc(Br)c3cccnc23)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
The InChIKey is BUBOERDHPPNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN2/c17-13-5-3-10(16-12(13)2-1-7-20-16)9-21-15-6-4-11(19)8-14(15)18/h1-8,21H,9H2.
What are the key properties of 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline?
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline has a molecular weight of 410.08 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 115959082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).