N-(3-bromophenyl)quinoxalin-2-amine

C14H10BrN3 — CID 5328022

IUPACN-(3-bromophenyl)quinoxalin-2-amine
SMILESBrc1cccc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)17-14-9-16-12-6-1-2-7-13(12)18-14/h1-9H,(H,17,18)
InChIKeyLNWNETBRARCZRM-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About N-(3-bromophenyl)quinoxalin-2-amine

N-(3-bromophenyl)quinoxalin-2-amine (PubChem CID 5328022) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(3-bromophenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)quinoxalin-2-amine
PubChem CID5328022
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC NameN-(3-bromophenyl)quinoxalin-2-amine
SMILESBrc1cccc(Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)17-14-9-16-12-6-1-2-7-13(12)18-14/h1-9H,(H,17,18)
InChIKeyLNWNETBRARCZRM-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Brimonidine
CID 2435
Pd 158780
CID 4707
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328257
N-(3-bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 5328260
N-(3-bromophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 5328273
4-N-(3-bromophenyl)pyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328274
N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine
CID 5328276
4-N-(3-bromophenyl)-6-N-methylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328277
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328278

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)quinoxalin-2-amine?
The IUPAC name of N-(3-bromophenyl)quinoxalin-2-amine (CID 5328022) is N-(3-bromophenyl)quinoxalin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)quinoxalin-2-amine?
The canonical SMILES for N-(3-bromophenyl)quinoxalin-2-amine is Brc1cccc(Nc2cnc3ccccc3n2)c1.
What is the InChIKey of N-(3-bromophenyl)quinoxalin-2-amine?
The InChIKey is LNWNETBRARCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)17-14-9-16-12-6-1-2-7-13(12)18-14/h1-9H,(H,17,18).
What are the key properties of N-(3-bromophenyl)quinoxalin-2-amine?
N-(3-bromophenyl)quinoxalin-2-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)quinoxalin-2-amine is sourced from PubChem (CID 5328022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).