4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C16H20N4O — CID 133364512

IUPAC4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCc1cccc2ncnc(N3CC4OCCN(C)C4C3)c12
InChIInChI=1S/C16H20N4O/c1-11-4-3-5-12-15(11)16(18-10-17-12)20-8-13-14(9-20)21-7-6-19(13)2/h3-5,10,13-14H,6-9H2,1-2H3
InChIKeyOFJHPLGYFSBQTI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.46
Rot. Bonds1

About 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 133364512) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID133364512
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCc1cccc2ncnc(N3CC4OCCN(C)C4C3)c12
InChIInChI=1S/C16H20N4O/c1-11-4-3-5-12-15(11)16(18-10-17-12)20-8-13-14(9-20)21-7-6-19(13)2/h3-5,10,13-14H,6-9H2,1-2H3
InChIKeyOFJHPLGYFSBQTI-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 133364512) is 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is Cc1cccc2ncnc(N3CC4OCCN(C)C4C3)c12.
What is the InChIKey of 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is OFJHPLGYFSBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-4-3-5-12-15(11)16(18-10-17-12)20-8-13-14(9-20)21-7-6-19(13)2/h3-5,10,13-14H,6-9H2,1-2H3.
What are the key properties of 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 284.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 133364512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).