5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine

C20H17N2O2P — CID 171770321

IUPAC5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine
SMILES[H]/N=C1\C=CC2=C(c3ccccc3C)c3ccc(N)cc3P(=O)(O)C2=C1
InChIInChI=1S/C20H17N2O2P/c1-12-4-2-3-5-15(12)20-16-8-6-13(21)10-18(16)25(23,24)19-11-14(22)7-9-17(19)20/h2-11,21H,22H2,1H3,(H,23,24)/b21-13+
InChIKeyTWYDUDCCNIARFP-FYJGNVAPSA-N
MW348.34 g/mol
LogP3.76
Rot. Bonds1

About 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine

5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine (PubChem CID 171770321) has the molecular formula C20H17N2O2P and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine.

Molecular Properties

Compound Name5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine
PubChem CID171770321
Molecular FormulaC20H17N2O2P
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine
SMILES[H]/N=C1\C=CC2=C(c3ccccc3C)c3ccc(N)cc3P(=O)(O)C2=C1
InChIInChI=1S/C20H17N2O2P/c1-12-4-2-3-5-15(12)20-16-8-6-13(21)10-18(16)25(23,24)19-11-14(22)7-9-17(19)20/h2-11,21H,22H2,1H3,(H,23,24)/b21-13+
InChIKeyTWYDUDCCNIARFP-FYJGNVAPSA-N
XLogP3.76
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine?
The IUPAC name of 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine (CID 171770321) is 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine.
What is the SMILES notation for 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine?
The canonical SMILES for 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine is [H]/N=C1\C=CC2=C(c3ccccc3C)c3ccc(N)cc3P(=O)(O)C2=C1.
What is the InChIKey of 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine?
The InChIKey is TWYDUDCCNIARFP-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H17N2O2P/c1-12-4-2-3-5-15(12)20-16-8-6-13(21)10-18(16)25(23,24)19-11-14(22)7-9-17(19)20/h2-11,21H,22H2,1H3,(H,23,24)/b21-13+.
What are the key properties of 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine?
5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine has a molecular weight of 348.34 g/mol, XLogP of 3.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-imino-10-(2-methylphenyl)-5-oxoacridophosphin-3-amine is sourced from PubChem (CID 171770321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).