1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione

C15H12N2O4 — CID 59699622

IUPAC1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cnccc32)cc1
InChIInChI=1S/C15H12N2O4/c1-20-11-4-2-10(3-5-11)9-17-13-6-7-16-8-12(13)14(18)21-15(17)19/h2-8H,9H2,1H3
InChIKeyJFYWBJNFLPEBQH-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.41
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione

1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione (PubChem CID 59699622) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
PubChem CID59699622
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cnccc32)cc1
InChIInChI=1S/C15H12N2O4/c1-20-11-4-2-10(3-5-11)9-17-13-6-7-16-8-12(13)14(18)21-15(17)19/h2-8H,9H2,1H3
InChIKeyJFYWBJNFLPEBQH-UHFFFAOYSA-N
XLogP1.41
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione (CID 59699622) is 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione is COc1ccc(Cn2c(=O)oc(=O)c3cnccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione?
The InChIKey is JFYWBJNFLPEBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-11-4-2-10(3-5-11)9-17-13-6-7-16-8-12(13)14(18)21-15(17)19/h2-8H,9H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione?
1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 59699622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).