5-anilinoquinazolino[2,1-b]quinazolin-12-one

C21H14N4O — CID 11393590

IUPAC5-anilinoquinazolino[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2nc(Nc3ccccc3)c3ccccc3n12
InChIInChI=1S/C21H14N4O/c26-20-15-10-4-6-12-17(15)23-21-24-19(22-14-8-2-1-3-9-14)16-11-5-7-13-18(16)25(20)21/h1-13H,(H,22,23,24)
InChIKeyJTZIDKLTIVTCFC-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.14
Rot. Bonds2

About 5-anilinoquinazolino[2,1-b]quinazolin-12-one

5-anilinoquinazolino[2,1-b]quinazolin-12-one (PubChem CID 11393590) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-anilinoquinazolino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5-anilinoquinazolino[2,1-b]quinazolin-12-one
PubChem CID11393590
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name5-anilinoquinazolino[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2nc(Nc3ccccc3)c3ccccc3n12
InChIInChI=1S/C21H14N4O/c26-20-15-10-4-6-12-17(15)23-21-24-19(22-14-8-2-1-3-9-14)16-11-5-7-13-18(16)25(20)21/h1-13H,(H,22,23,24)
InChIKeyJTZIDKLTIVTCFC-UHFFFAOYSA-N
XLogP4.14
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-anilinoquinazolino[2,1-b]quinazolin-12-one?
The IUPAC name of 5-anilinoquinazolino[2,1-b]quinazolin-12-one (CID 11393590) is 5-anilinoquinazolino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5-anilinoquinazolino[2,1-b]quinazolin-12-one?
The canonical SMILES for 5-anilinoquinazolino[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2nc(Nc3ccccc3)c3ccccc3n12.
What is the InChIKey of 5-anilinoquinazolino[2,1-b]quinazolin-12-one?
The InChIKey is JTZIDKLTIVTCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-20-15-10-4-6-12-17(15)23-21-24-19(22-14-8-2-1-3-9-14)16-11-5-7-13-18(16)25(20)21/h1-13H,(H,22,23,24).
What are the key properties of 5-anilinoquinazolino[2,1-b]quinazolin-12-one?
5-anilinoquinazolino[2,1-b]quinazolin-12-one has a molecular weight of 338.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinoquinazolino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 11393590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).