2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one

C12H13N3O2 — CID 178029081

IUPAC2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c([C@@H]2CNCCO2)nc2ccccc12
InChIInChI=1S/C12H13N3O2/c16-12-8-3-1-2-4-9(8)14-11(15-12)10-7-13-5-6-17-10/h1-4,10,13H,5-7H2,(H,14,15,16)/t10-/m0/s1
InChIKeyCVRLLGSXIUCKKJ-JTQLQIEISA-N
MW231.25 g/mol
LogP0.58
Rot. Bonds1

About 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one

2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one (PubChem CID 178029081) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
PubChem CID178029081
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c([C@@H]2CNCCO2)nc2ccccc12
InChIInChI=1S/C12H13N3O2/c16-12-8-3-1-2-4-9(8)14-11(15-12)10-7-13-5-6-17-10/h1-4,10,13H,5-7H2,(H,14,15,16)/t10-/m0/s1
InChIKeyCVRLLGSXIUCKKJ-JTQLQIEISA-N
XLogP0.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
2-[(3S,5R)-5-hydroxypiperidin-3-yl]-3H-quinazolin-4-one
CID 137230518
morpholin-4-yl-(2-morpholin-2-ylquinolin-4-yl)methanone
CID 110089333
azane;2-phenylmorpholine
CID 174664757
N-(2-hydroxyethyl)-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 125006709
2-cinnolin-3-ylmorpholine
CID 116988006
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 124994060
2-(2-methylquinazolin-4-yl)-1,4-oxazepane
CID 82664516
2-(oxolan-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136920498
ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
CID 136903474
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine
CID 116881037
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one (CID 178029081) is 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one is O=c1[nH]c([C@@H]2CNCCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one?
The InChIKey is CVRLLGSXIUCKKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12-8-3-1-2-4-9(8)14-11(15-12)10-7-13-5-6-17-10/h1-4,10,13H,5-7H2,(H,14,15,16)/t10-/m0/s1.
What are the key properties of 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one?
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one has a molecular weight of 231.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 178029081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).