7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione

C20H15N3O4 — CID 71538841

IUPAC7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2cc(OCc3ccccn3)ccc2c(=O)n1Cc1ccccn1
InChIInChI=1S/C20H15N3O4/c24-19-17-8-7-16(26-13-15-6-2-4-10-22-15)11-18(17)27-20(25)23(19)12-14-5-1-3-9-21-14/h1-11H,12-13H2
InChIKeyYKZQEGJVGRDESG-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.37
Rot. Bonds5

About 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione

7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione (PubChem CID 71538841) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione
PubChem CID71538841
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2cc(OCc3ccccn3)ccc2c(=O)n1Cc1ccccn1
InChIInChI=1S/C20H15N3O4/c24-19-17-8-7-16(26-13-15-6-2-4-10-22-15)11-18(17)27-20(25)23(19)12-14-5-1-3-9-21-14/h1-11H,12-13H2
InChIKeyYKZQEGJVGRDESG-UHFFFAOYSA-N
XLogP2.37
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione?
The IUPAC name of 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione (CID 71538841) is 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione is O=c1oc2cc(OCc3ccccn3)ccc2c(=O)n1Cc1ccccn1.
What is the InChIKey of 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione?
The InChIKey is YKZQEGJVGRDESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-19-17-8-7-16(26-13-15-6-2-4-10-22-15)11-18(17)27-20(25)23(19)12-14-5-1-3-9-21-14/h1-11H,12-13H2.
What are the key properties of 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione?
7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione has a molecular weight of 361.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 71538841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).