3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

C24H26N2O4 — CID 73402115

IUPAC3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOc1ccccc1C1=COC2C(CCC3OCN(Cc4ccccn4)CC32)C1=O
InChIInChI=1S/C24H26N2O4/c1-28-21-8-3-2-7-17(21)20-14-29-24-18(23(20)27)9-10-22-19(24)13-26(15-30-22)12-16-6-4-5-11-25-16/h2-8,11,14,18-19,22,24H,9-10,12-13,15H2,1H3
InChIKeyLCWAWRNOOGZQIO-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.28
Rot. Bonds4

About 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (PubChem CID 73402115) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
PubChem CID73402115
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOc1ccccc1C1=COC2C(CCC3OCN(Cc4ccccn4)CC32)C1=O
InChIInChI=1S/C24H26N2O4/c1-28-21-8-3-2-7-17(21)20-14-29-24-18(23(20)27)9-10-22-19(24)13-26(15-30-22)12-16-6-4-5-11-25-16/h2-8,11,14,18-19,22,24H,9-10,12-13,15H2,1H3
InChIKeyLCWAWRNOOGZQIO-UHFFFAOYSA-N
XLogP3.28
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (CID 73402115) is 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is COc1ccccc1C1=COC2C(CCC3OCN(Cc4ccccn4)CC32)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The InChIKey is LCWAWRNOOGZQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-21-8-3-2-7-17(21)20-14-29-24-18(23(20)27)9-10-22-19(24)13-26(15-30-22)12-16-6-4-5-11-25-16/h2-8,11,14,18-19,22,24H,9-10,12-13,15H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one has a molecular weight of 406.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-9-(pyridin-2-ylmethyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is sourced from PubChem (CID 73402115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).