[4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid

C19H19N4O3P — CID 57130935

IUPAC[4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid
SMILESCc1cc(C)c(Nc2nc3ccccc3n3c(P(=O)(O)O)ncc23)c(C)c1
InChIInChI=1S/C19H19N4O3P/c1-11-8-12(2)17(13(3)9-11)22-18-16-10-20-19(27(24,25)26)23(16)15-7-5-4-6-14(15)21-18/h4-10H,1-3H3,(H,21,22)(H2,24,25,26)
InChIKeyPJZHFWVNDRBVEH-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.35
Rot. Bonds3

About [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid

[4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid (PubChem CID 57130935) has the molecular formula C19H19N4O3P and a molecular weight of 382.36 g/mol. Its IUPAC name is [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid.

Molecular Properties

Compound Name[4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid
PubChem CID57130935
Molecular FormulaC19H19N4O3P
Molecular Weight382.36 g/mol
Exact Mass382.12
IUPAC Name[4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid
SMILESCc1cc(C)c(Nc2nc3ccccc3n3c(P(=O)(O)O)ncc23)c(C)c1
InChIInChI=1S/C19H19N4O3P/c1-11-8-12(2)17(13(3)9-11)22-18-16-10-20-19(27(24,25)26)23(16)15-7-5-4-6-14(15)21-18/h4-10H,1-3H3,(H,21,22)(H2,24,25,26)
InChIKeyPJZHFWVNDRBVEH-UHFFFAOYSA-N
XLogP3.35
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid?
The IUPAC name of [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid (CID 57130935) is [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid.
What is the SMILES notation for [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid?
The canonical SMILES for [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid is Cc1cc(C)c(Nc2nc3ccccc3n3c(P(=O)(O)O)ncc23)c(C)c1.
What is the InChIKey of [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid?
The InChIKey is PJZHFWVNDRBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N4O3P/c1-11-8-12(2)17(13(3)9-11)22-18-16-10-20-19(27(24,25)26)23(16)15-7-5-4-6-14(15)21-18/h4-10H,1-3H3,(H,21,22)(H2,24,25,26).
What are the key properties of [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid?
[4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid has a molecular weight of 382.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,6-trimethylanilino)imidazo[1,5-a]quinoxalin-1-yl]phosphonic acid is sourced from PubChem (CID 57130935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).