2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one

C12H15N3O2 — CID 66885078

IUPAC2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(N2CCOCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-4,12-13H,5-8H2,(H,14,16)
InChIKeyLTQFJJCWLBGJEB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.46
Rot. Bonds1

About 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one

2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 66885078) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID66885078
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(N2CCOCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-4,12-13H,5-8H2,(H,14,16)
InChIKeyLTQFJJCWLBGJEB-UHFFFAOYSA-N
XLogP0.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 167326828
N-[(6aS,7S)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]morpholine-4-carboxamide
CID 11941687
2-morpholin-4-ylisoindole-1,3-dione
CID 57312191
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240
(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7194317
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 25363719
3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one
CID 137450302
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
2-benzofuran-1,3-dione;oxolane
CID 158210256
4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
CID 67605247
3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one
CID 54204273
2-morpholin-4-yl-3H-1,3,2-benzoxazaphosphinin-4-one
CID 3074324

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one (CID 66885078) is 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(N2CCOCC2)Nc2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is LTQFJJCWLBGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-9-3-1-2-4-10(9)13-12(14-11)15-5-7-17-8-6-15/h1-4,12-13H,5-8H2,(H,14,16).
What are the key properties of 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 66885078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).