3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine

C21H16Cl2N4 — CID 175722599

IUPAC3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine
SMILESClc1ccc(CNc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N4/c22-15-10-8-14(9-11-15)13-24-20-21(25-17-5-3-4-16(23)12-17)27-19-7-2-1-6-18(19)26-20/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyFCTOIKDNBYRUBC-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.29
Rot. Bonds5

About 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine

3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine (PubChem CID 175722599) has the molecular formula C21H16Cl2N4 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine
PubChem CID175722599
Molecular FormulaC21H16Cl2N4
Molecular Weight395.29 g/mol
Exact Mass394.08
IUPAC Name3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine
SMILESClc1ccc(CNc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N4/c22-15-10-8-14(9-11-15)13-24-20-21(25-17-5-3-4-16(23)12-17)27-19-7-2-1-6-18(19)26-20/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyFCTOIKDNBYRUBC-UHFFFAOYSA-N
XLogP6.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine (CID 175722599) is 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine is Clc1ccc(CNc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine?
The InChIKey is FCTOIKDNBYRUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4/c22-15-10-8-14(9-11-15)13-24-20-21(25-17-5-3-4-16(23)12-17)27-19-7-2-1-6-18(19)26-20/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine?
3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine has a molecular weight of 395.29 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 175722599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).