2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one

C15H19N3O3 — CID 136767082

IUPAC2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one
SMILESCC1CNCC(COCc2nc3ccccc3c(=O)[nH]2)O1
InChIInChI=1S/C15H19N3O3/c1-10-6-16-7-11(21-10)8-20-9-14-17-13-5-3-2-4-12(13)15(19)18-14/h2-5,10-11,16H,6-9H2,1H3,(H,17,18,19)
InChIKeyLOWVFFCHDGVXPP-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.82
Rot. Bonds4

About 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one

2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one (PubChem CID 136767082) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one
PubChem CID136767082
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one
SMILESCC1CNCC(COCc2nc3ccccc3c(=O)[nH]2)O1
InChIInChI=1S/C15H19N3O3/c1-10-6-16-7-11(21-10)8-20-9-14-17-13-5-3-2-4-12(13)15(19)18-14/h2-5,10-11,16H,6-9H2,1H3,(H,17,18,19)
InChIKeyLOWVFFCHDGVXPP-UHFFFAOYSA-N
XLogP0.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(quinolin-4-ylmethoxymethyl)morpholine
CID 102634147
2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
CID 136767078
2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
CID 102633734
2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
CID 136767041
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-3H-quinazolin-4-one
CID 136899036
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one (CID 136767082) is 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one is CC1CNCC(COCc2nc3ccccc3c(=O)[nH]2)O1.
What is the InChIKey of 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one?
The InChIKey is LOWVFFCHDGVXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-6-16-7-11(21-10)8-20-9-14-17-13-5-3-2-4-12(13)15(19)18-14/h2-5,10-11,16H,6-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one?
2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one has a molecular weight of 289.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylmorpholin-2-yl)methoxymethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136767082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).