N-(2-bromophenyl)-8-chloroquinolin-4-amine

C15H10BrClN2 — CID 43832738

IUPACN-(2-bromophenyl)-8-chloroquinolin-4-amine
SMILESClc1cccc2c(Nc3ccccc3Br)ccnc12
InChIInChI=1S/C15H10BrClN2/c16-11-5-1-2-7-14(11)19-13-8-9-18-15-10(13)4-3-6-12(15)17/h1-9H,(H,18,19)
InChIKeyUUIHIINDVKGCAR-UHFFFAOYSA-N
MW333.62 g/mol
LogP5.39
Rot. Bonds2

About N-(2-bromophenyl)-8-chloroquinolin-4-amine

N-(2-bromophenyl)-8-chloroquinolin-4-amine (PubChem CID 43832738) has the molecular formula C15H10BrClN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is N-(2-bromophenyl)-8-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-8-chloroquinolin-4-amine
PubChem CID43832738
Molecular FormulaC15H10BrClN2
Molecular Weight333.62 g/mol
Exact Mass331.97
IUPAC NameN-(2-bromophenyl)-8-chloroquinolin-4-amine
SMILESClc1cccc2c(Nc3ccccc3Br)ccnc12
InChIInChI=1S/C15H10BrClN2/c16-11-5-1-2-7-14(11)19-13-8-9-18-15-10(13)4-3-6-12(15)17/h1-9H,(H,18,19)
InChIKeyUUIHIINDVKGCAR-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.62
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-8-chloroquinolin-4-amine?
The IUPAC name of N-(2-bromophenyl)-8-chloroquinolin-4-amine (CID 43832738) is N-(2-bromophenyl)-8-chloroquinolin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-8-chloroquinolin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-8-chloroquinolin-4-amine is Clc1cccc2c(Nc3ccccc3Br)ccnc12.
What is the InChIKey of N-(2-bromophenyl)-8-chloroquinolin-4-amine?
The InChIKey is UUIHIINDVKGCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2/c16-11-5-1-2-7-14(11)19-13-8-9-18-15-10(13)4-3-6-12(15)17/h1-9H,(H,18,19).
What are the key properties of N-(2-bromophenyl)-8-chloroquinolin-4-amine?
N-(2-bromophenyl)-8-chloroquinolin-4-amine has a molecular weight of 333.62 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-8-chloroquinolin-4-amine is sourced from PubChem (CID 43832738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).