2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine

C20H14Cl2N4 — CID 39890591

IUPAC2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine
SMILESClc1cccc(Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H14Cl2N4/c21-13-5-3-7-15(11-13)23-19-20(24-16-8-4-6-14(22)12-16)26-18-10-2-1-9-17(18)25-19/h1-12H,(H,23,25)(H,24,26)
InChIKeyPFYJCQRFLIUKOI-UHFFFAOYSA-N
MW381.27 g/mol
LogP6.42
Rot. Bonds4

About 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine (PubChem CID 39890591) has the molecular formula C20H14Cl2N4 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine
PubChem CID39890591
Molecular FormulaC20H14Cl2N4
Molecular Weight381.27 g/mol
Exact Mass380.06
IUPAC Name2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine
SMILESClc1cccc(Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H14Cl2N4/c21-13-5-3-7-15(11-13)23-19-20(24-16-8-4-6-14(22)12-16)26-18-10-2-1-9-17(18)25-19/h1-12H,(H,23,25)(H,24,26)
InChIKeyPFYJCQRFLIUKOI-UHFFFAOYSA-N
XLogP6.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
2-[4-(4-Chlorophenyl)piperazin-1-yl]quinoxaline
CID 2764801
2,3-Bis(3,4-dichloroanilino)-6-nitroquinoxaline
CID 3113551
2-N,3-N-bis(3-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458981
2-N,3-N-bis(4-chlorophenyl)-6-nitroquinoxaline-2,3-diamine
CID 155458986
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
CID 155459055
2,3-Quinoxalinediamine, N,N'-diphenyl-
CID 467789
2-Chloro-3-(piperazin-1-yl)quinoxaline hydrochloride
CID 12686417
6-[(3-Chloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457747
6-(((3-Chlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 464891
N6-(4-chlorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476044
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline
CID 24203444

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine (CID 39890591) is 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine is Clc1cccc(Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine?
The InChIKey is PFYJCQRFLIUKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4/c21-13-5-3-7-15(11-13)23-19-20(24-16-8-4-6-14(22)12-16)26-18-10-2-1-9-17(18)25-19/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine has a molecular weight of 381.27 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 39890591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).