2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

C12H15N3O2 — CID 5306361

IUPAC2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)8-13-12(14-10)15-4-6-17-7-5-15/h8H,1-7H2
InChIKeyYACLGCVCNKBTBR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.83
Rot. Bonds1

About 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 5306361) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID5306361
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)8-13-12(14-10)15-4-6-17-7-5-15/h8H,1-7H2
InChIKeyYACLGCVCNKBTBR-UHFFFAOYSA-N
XLogP0.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (CID 5306361) is 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(N3CCOCC3)ncc21.
What is the InChIKey of 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YACLGCVCNKBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)8-13-12(14-10)15-4-6-17-7-5-15/h8H,1-7H2.
What are the key properties of 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 233.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 5306361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).