3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine

C25H26N6 — CID 122472052

IUPAC3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine
SMILESCNc1cc(C)c2nc3c(C)c4nc5c(C)cc(N)c(C)c5nc4c(C)c3nc2c1C
InChIInChI=1S/C25H26N6/c1-10-8-16(26)12(3)20-18(10)28-22-14(5)23-25(15(6)24(22)30-20)31-21-13(4)17(27-7)9-11(2)19(21)29-23/h8-9,27H,26H2,1-7H3
InChIKeyYNLCPFUZQOPUJX-UHFFFAOYSA-N
MW410.53 g/mol
LogP5.35
Rot. Bonds1

About 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine

3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine (PubChem CID 122472052) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine.

Molecular Properties

Compound Name3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine
PubChem CID122472052
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine
SMILESCNc1cc(C)c2nc3c(C)c4nc5c(C)cc(N)c(C)c5nc4c(C)c3nc2c1C
InChIInChI=1S/C25H26N6/c1-10-8-16(26)12(3)20-18(10)28-22-14(5)23-25(15(6)24(22)30-20)31-21-13(4)17(27-7)9-11(2)19(21)29-23/h8-9,27H,26H2,1-7H3
InChIKeyYNLCPFUZQOPUJX-UHFFFAOYSA-N
XLogP5.35
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine?
The IUPAC name of 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine (CID 122472052) is 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine.
What is the SMILES notation for 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine?
The canonical SMILES for 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine is CNc1cc(C)c2nc3c(C)c4nc5c(C)cc(N)c(C)c5nc4c(C)c3nc2c1C.
What is the InChIKey of 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine?
The InChIKey is YNLCPFUZQOPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-10-8-16(26)12(3)20-18(10)28-22-14(5)23-25(15(6)24(22)30-20)31-21-13(4)17(27-7)9-11(2)19(21)29-23/h8-9,27H,26H2,1-7H3.
What are the key properties of 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine?
3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine has a molecular weight of 410.53 g/mol, XLogP of 5.35, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1,4,6,8,11,13-heptamethylquinoxalino[2,3-b]phenazine-3,9-diamine is sourced from PubChem (CID 122472052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).