3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione

C16H13NO4 — CID 131857932

IUPAC3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
SMILESCOc1ccc2oc(=O)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C16H13NO4/c1-20-12-7-8-14-13(9-12)15(18)17(16(19)21-14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyWZLIDLFOAIWJOD-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.01
Rot. Bonds3

About 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione

3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione (PubChem CID 131857932) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
PubChem CID131857932
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
SMILESCOc1ccc2oc(=O)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C16H13NO4/c1-20-12-7-8-14-13(9-12)15(18)17(16(19)21-14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyWZLIDLFOAIWJOD-UHFFFAOYSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
CID 10082863
3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
CID 46946073
5-benzyl-9-methoxy-2,4-dimethylphenanthridin-6-one
CID 134974772
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
10-benzyl-3-methoxyacridin-9-one
CID 12751573
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 2150405
4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methoxychromen-2-one
CID 46269046

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione (CID 131857932) is 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione is COc1ccc2oc(=O)n(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione?
The InChIKey is WZLIDLFOAIWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-12-7-8-14-13(9-12)15(18)17(16(19)21-14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione?
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione has a molecular weight of 283.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 131857932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).