N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline

C16H11BrCl2N2 — CID 115958945

IUPACN-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
SMILESClc1ccc(Cl)c(NCc2ccc(Br)c3cccnc23)c1
InChIInChI=1S/C16H11BrCl2N2/c17-13-5-3-10(16-12(13)2-1-7-20-16)9-21-15-8-11(18)4-6-14(15)19/h1-8,21H,9H2
InChIKeyUCKZAKUHSNYPEW-UHFFFAOYSA-N
MW382.09 g/mol
LogP5.92
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline

N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline (PubChem CID 115958945) has the molecular formula C16H11BrCl2N2 and a molecular weight of 382.09 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
PubChem CID115958945
Molecular FormulaC16H11BrCl2N2
Molecular Weight382.09 g/mol
Exact Mass379.95
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
SMILESClc1ccc(Cl)c(NCc2ccc(Br)c3cccnc23)c1
InChIInChI=1S/C16H11BrCl2N2/c17-13-5-3-10(16-12(13)2-1-7-20-16)9-21-15-8-11(18)4-6-14(15)19/h1-8,21H,9H2
InChIKeyUCKZAKUHSNYPEW-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

2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
N-[(5-bromoquinolin-8-yl)methyl]-3-chloro-2-fluoroaniline
CID 115959088
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline (CID 115958945) is N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline is Clc1ccc(Cl)c(NCc2ccc(Br)c3cccnc23)c1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline?
The InChIKey is UCKZAKUHSNYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2/c17-13-5-3-10(16-12(13)2-1-7-20-16)9-21-15-8-11(18)4-6-14(15)19/h1-8,21H,9H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline?
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline 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 N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline is sourced from PubChem (CID 115958945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).