2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine

C24H20N6 — CID 70165419

IUPAC2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
SMILESc1cncc(CNc2nc3cc4ccccc4cc3nc2NCc2cccnc2)c1
InChIInChI=1S/C24H20N6/c1-2-8-20-12-22-21(11-19(20)7-1)29-23(27-15-17-5-3-9-25-13-17)24(30-22)28-16-18-6-4-10-26-14-18/h1-14H,15-16H2,(H,27,29)(H,28,30)
InChIKeyGTHPQCNJXAJLFK-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.80
Rot. Bonds6

About 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine

2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine (PubChem CID 70165419) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
PubChem CID70165419
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
SMILESc1cncc(CNc2nc3cc4ccccc4cc3nc2NCc2cccnc2)c1
InChIInChI=1S/C24H20N6/c1-2-8-20-12-22-21(11-19(20)7-1)29-23(27-15-17-5-3-9-25-13-17)24(30-22)28-16-18-6-4-10-26-14-18/h1-14H,15-16H2,(H,27,29)(H,28,30)
InChIKeyGTHPQCNJXAJLFK-UHFFFAOYSA-N
XLogP4.80
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 46172986
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79531942
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine (CID 70165419) is 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine is c1cncc(CNc2nc3cc4ccccc4cc3nc2NCc2cccnc2)c1.
What is the InChIKey of 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine?
The InChIKey is GTHPQCNJXAJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-2-8-20-12-22-21(11-19(20)7-1)29-23(27-15-17-5-3-9-25-13-17)24(30-22)28-16-18-6-4-10-26-14-18/h1-14H,15-16H2,(H,27,29)(H,28,30).
What are the key properties of 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine?
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine has a molecular weight of 392.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine is sourced from PubChem (CID 70165419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).