2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one

C15H19N3O2 — CID 79096392

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(C3CN4CCCC4CO3)ncc21
InChIInChI=1S/C15H19N3O2/c19-13-5-1-4-12-11(13)7-16-15(17-12)14-8-18-6-2-3-10(18)9-20-14/h7,10,14H,1-6,8-9H2
InChIKeyHCRDEOCLXVZQAF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds1

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 79096392) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID79096392
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(C3CN4CCCC4CO3)ncc21
InChIInChI=1S/C15H19N3O2/c19-13-5-1-4-12-11(13)7-16-15(17-12)14-8-18-6-2-3-10(18)9-20-14/h7,10,14H,1-6,8-9H2
InChIKeyHCRDEOCLXVZQAF-UHFFFAOYSA-N
XLogP1.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 79096392) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(C3CN4CCCC4CO3)ncc21.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HCRDEOCLXVZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-13-5-1-4-12-11(13)7-16-15(17-12)14-8-18-6-2-3-10(18)9-20-14/h7,10,14H,1-6,8-9H2.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 273.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 79096392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).