11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide

C28H19N5O2 — CID 10742498

IUPAC11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide
SMILESO=c1c2ccccc2nc2n(/C(=N/c3ccccc3)Nc3ccccc3)c3ccccc3c(=O)n12
InChIInChI=1S/C28H19N5O2/c34-25-21-15-7-9-17-23(21)31-28-32(24-18-10-8-16-22(24)26(35)33(25)28)27(29-19-11-3-1-4-12-19)30-20-13-5-2-6-14-20/h1-18H,(H,29,30)
InChIKeyHCRNNOVDZBNISV-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.81
Rot. Bonds2

About 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide

11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide (PubChem CID 10742498) has the molecular formula C28H19N5O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide.

Molecular Properties

Compound Name11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide
PubChem CID10742498
Molecular FormulaC28H19N5O2
Molecular Weight457.49 g/mol
Exact Mass457.15
IUPAC Name11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide
SMILESO=c1c2ccccc2nc2n(/C(=N/c3ccccc3)Nc3ccccc3)c3ccccc3c(=O)n12
InChIInChI=1S/C28H19N5O2/c34-25-21-15-7-9-17-23(21)31-28-32(24-18-10-8-16-22(24)26(35)33(25)28)27(29-19-11-3-1-4-12-19)30-20-13-5-2-6-14-20/h1-18H,(H,29,30)
InChIKeyHCRNNOVDZBNISV-UHFFFAOYSA-N
XLogP4.81
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide?
The IUPAC name of 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide (CID 10742498) is 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide.
What is the SMILES notation for 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide?
The canonical SMILES for 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide is O=c1c2ccccc2nc2n(/C(=N/c3ccccc3)Nc3ccccc3)c3ccccc3c(=O)n12.
What is the InChIKey of 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide?
The InChIKey is HCRNNOVDZBNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2/c34-25-21-15-7-9-17-23(21)31-28-32(24-18-10-8-16-22(24)26(35)33(25)28)27(29-19-11-3-1-4-12-19)30-20-13-5-2-6-14-20/h1-18H,(H,29,30).
What are the key properties of 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide?
11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide has a molecular weight of 457.49 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dioxo-N,N'-diphenylquinazolino[2,3-b]quinazoline-5-carboximidamide is sourced from PubChem (CID 10742498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).