(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid

C15H9N2O5P — CID 67774120

IUPAC(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid
SMILESO=C1c2ccccc2-n2c1nc1ccc(P(=O)(O)O)cc1c2=O
InChIInChI=1S/C15H9N2O5P/c18-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(23(20,21)22)7-10(11)15(17)19/h1-7H,(H2,20,21,22)
InChIKeyHENCYIZBJYAFMF-UHFFFAOYSA-N
MW328.22 g/mol
LogP0.73
Rot. Bonds1

About (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid

(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid (PubChem CID 67774120) has the molecular formula C15H9N2O5P and a molecular weight of 328.22 g/mol. Its IUPAC name is (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid
PubChem CID67774120
Molecular FormulaC15H9N2O5P
Molecular Weight328.22 g/mol
Exact Mass328.02
IUPAC Name(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid
SMILESO=C1c2ccccc2-n2c1nc1ccc(P(=O)(O)O)cc1c2=O
InChIInChI=1S/C15H9N2O5P/c18-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(23(20,21)22)7-10(11)15(17)19/h1-7H,(H2,20,21,22)
InChIKeyHENCYIZBJYAFMF-UHFFFAOYSA-N
XLogP0.73
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid 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 (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid?
The IUPAC name of (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid (CID 67774120) is (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid.
What is the SMILES notation for (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid?
The canonical SMILES for (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid is O=C1c2ccccc2-n2c1nc1ccc(P(=O)(O)O)cc1c2=O.
What is the InChIKey of (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid?
The InChIKey is HENCYIZBJYAFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N2O5P/c18-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(23(20,21)22)7-10(11)15(17)19/h1-7H,(H2,20,21,22).
What are the key properties of (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid?
(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid has a molecular weight of 328.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid is sourced from PubChem (CID 67774120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).