benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate

C19H20N2O5 — CID 15521898

IUPACbenzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate
SMILESCc1cc2c(c(=O)n1CC(=O)OCc1ccccc1)NC(=O)OC2(C)C
InChIInChI=1S/C19H20N2O5/c1-12-9-14-16(20-18(24)26-19(14,2)3)17(23)21(12)10-15(22)25-11-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,20,24)
InChIKeyGMAXSXBAYJVVNW-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.70
Rot. Bonds4

About benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate

benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate (PubChem CID 15521898) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate
PubChem CID15521898
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namebenzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate
SMILESCc1cc2c(c(=O)n1CC(=O)OCc1ccccc1)NC(=O)OC2(C)C
InChIInChI=1S/C19H20N2O5/c1-12-9-14-16(20-18(24)26-19(14,2)3)17(23)21(12)10-15(22)25-11-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,20,24)
InChIKeyGMAXSXBAYJVVNW-UHFFFAOYSA-N
XLogP2.70
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate?
The IUPAC name of benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate (CID 15521898) is benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate.
What is the SMILES notation for benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate?
The canonical SMILES for benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate is Cc1cc2c(c(=O)n1CC(=O)OCc1ccccc1)NC(=O)OC2(C)C.
What is the InChIKey of benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate?
The InChIKey is GMAXSXBAYJVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-9-14-16(20-18(24)26-19(14,2)3)17(23)21(12)10-15(22)25-11-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,20,24).
What are the key properties of benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate?
benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate has a molecular weight of 356.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4,4,6-trimethyl-2,8-dioxo-1H-pyrido[3,4-d][1,3]oxazin-7-yl)acetate is sourced from PubChem (CID 15521898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).