5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one

C19H16N4O2 — CID 134090532

IUPAC5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2nc(N3CCOCC3)c3ccccc3n12
InChIInChI=1S/C19H16N4O2/c24-18-13-5-1-3-7-15(13)20-19-21-17(22-9-11-25-12-10-22)14-6-2-4-8-16(14)23(18)19/h1-8H,9-12H2
InChIKeyNRDFUEKJCPOXKG-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.23
Rot. Bonds1

About 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one

5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one (PubChem CID 134090532) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one
PubChem CID134090532
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2nc(N3CCOCC3)c3ccccc3n12
InChIInChI=1S/C19H16N4O2/c24-18-13-5-1-3-7-15(13)20-19-21-17(22-9-11-25-12-10-22)14-6-2-4-8-16(14)23(18)19/h1-8H,9-12H2
InChIKeyNRDFUEKJCPOXKG-UHFFFAOYSA-N
XLogP2.23
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one?
The IUPAC name of 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one (CID 134090532) is 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one?
The canonical SMILES for 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2nc(N3CCOCC3)c3ccccc3n12.
What is the InChIKey of 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one?
The InChIKey is NRDFUEKJCPOXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18-13-5-1-3-7-15(13)20-19-21-17(22-9-11-25-12-10-22)14-6-2-4-8-16(14)23(18)19/h1-8H,9-12H2.
What are the key properties of 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one?
5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one has a molecular weight of 332.36 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 134090532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).