2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one

C13H15N3O2 — CID 137099765

IUPAC2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
SMILESCN1CCOC(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C13H15N3O2/c1-16-6-7-18-11(8-16)12-14-10-5-3-2-4-9(10)13(17)15-12/h2-5,11H,6-8H2,1H3,(H,14,15,17)
InChIKeyMEYDUPXVBHGSQJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.93
Rot. Bonds1

About 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one

2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one (PubChem CID 137099765) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
PubChem CID137099765
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
SMILESCN1CCOC(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C13H15N3O2/c1-16-6-7-18-11(8-16)12-14-10-5-3-2-4-9(10)13(17)15-12/h2-5,11H,6-8H2,1H3,(H,14,15,17)
InChIKeyMEYDUPXVBHGSQJ-UHFFFAOYSA-N
XLogP0.93
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79077775
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 114206196
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
CID 136903474
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
2-(4-methylmorpholin-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478746
2-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135933709

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one (CID 137099765) is 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one is CN1CCOC(c2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one?
The InChIKey is MEYDUPXVBHGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-6-7-18-11(8-16)12-14-10-5-3-2-4-9(10)13(17)15-12/h2-5,11H,6-8H2,1H3,(H,14,15,17).
What are the key properties of 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one?
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137099765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).