2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine

C24H19Cl4N5 — CID 155459054

IUPAC2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine
SMILESClc1ccc(Nc2nc3ccc(N4CCCC4)cc3nc2Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H19Cl4N5/c25-17-6-3-14(11-19(17)27)29-23-24(30-15-4-7-18(26)20(28)12-15)32-22-13-16(5-8-21(22)31-23)33-9-1-2-10-33/h3-8,11-13H,1-2,9-10H2,(H,29,31)(H,30,32)
InChIKeyCUBYQISYMXZAQT-UHFFFAOYSA-N
MW519.26 g/mol
LogP8.33
Rot. Bonds5

About 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine

2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine (PubChem CID 155459054) has the molecular formula C24H19Cl4N5 and a molecular weight of 519.26 g/mol. Its IUPAC name is 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine
PubChem CID155459054
Molecular FormulaC24H19Cl4N5
Molecular Weight519.26 g/mol
Exact Mass517.04
IUPAC Name2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine
SMILESClc1ccc(Nc2nc3ccc(N4CCCC4)cc3nc2Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H19Cl4N5/c25-17-6-3-14(11-19(17)27)29-23-24(30-15-4-7-18(26)20(28)12-15)32-22-13-16(5-8-21(22)31-23)33-9-1-2-10-33/h3-8,11-13H,1-2,9-10H2,(H,29,31)(H,30,32)
InChIKeyCUBYQISYMXZAQT-UHFFFAOYSA-N
XLogP8.33
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.26
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-
CID 457744
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]hexanamide
CID 155458998
N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
CID 155459055
6-[(3,4,5-Trichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457774
6-(((3,4-Dichlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462102
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline
CID 24203444
2[(3,7-Diamino quinoxaline
CID 24203445
6,7-Dichloro-2-methyl-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24854635
6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 44531684

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine (CID 155459054) is 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine is Clc1ccc(Nc2nc3ccc(N4CCCC4)cc3nc2Nc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine?
The InChIKey is CUBYQISYMXZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl4N5/c25-17-6-3-14(11-19(17)27)29-23-24(30-15-4-7-18(26)20(28)12-15)32-22-13-16(5-8-21(22)31-23)33-9-1-2-10-33/h3-8,11-13H,1-2,9-10H2,(H,29,31)(H,30,32).
What are the key properties of 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine?
2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine has a molecular weight of 519.26 g/mol, XLogP of 8.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine is sourced from PubChem (CID 155459054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).