3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine

C14H8Cl3N3 — CID 118656806

IUPAC3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine
SMILESClc1cc(Cl)cc(Nc2nc3ccccc3nc2Cl)c1
InChIInChI=1S/C14H8Cl3N3/c15-8-5-9(16)7-10(6-8)18-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-7H,(H,18,20)
InChIKeyQLZYRFHYBROZDI-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.33
Rot. Bonds2

About 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine

3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine (PubChem CID 118656806) has the molecular formula C14H8Cl3N3 and a molecular weight of 324.60 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine
PubChem CID118656806
Molecular FormulaC14H8Cl3N3
Molecular Weight324.60 g/mol
Exact Mass322.98
IUPAC Name3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine
SMILESClc1cc(Cl)cc(Nc2nc3ccccc3nc2Cl)c1
InChIInChI=1S/C14H8Cl3N3/c15-8-5-9(16)7-10(6-8)18-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-7H,(H,18,20)
InChIKeyQLZYRFHYBROZDI-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
6-[(2,5-Dichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462106
N-(2,4-dichlorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
CID 1895841
2-N,3-N-bis(3-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458981
2,3-Quinoxalinediamine, N,N'-diphenyl-
CID 467789
2-Chloro-3-(piperazin-1-yl)quinoxaline hydrochloride
CID 12686417
3-Chloroquinoxalin-2-amine
CID 817274
6-[(3-Chloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457747
6-[(2,6-Dichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457775
6-[(2,4-Dichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 466051
N6-(4-chlorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476044
6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 44531684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine (CID 118656806) is 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine is Clc1cc(Cl)cc(Nc2nc3ccccc3nc2Cl)c1.
What is the InChIKey of 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine?
The InChIKey is QLZYRFHYBROZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3/c15-8-5-9(16)7-10(6-8)18-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-7H,(H,18,20).
What are the key properties of 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine?
3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine has a molecular weight of 324.60 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dichlorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 118656806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).