5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one

C20H14N2O3 — CID 2812522

IUPAC5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3Oc3ccccc3)oc(=O)c12
InChIInChI=1S/C20H14N2O3/c1-13-7-5-11-16-17(13)20(23)25-19(22-16)15-10-6-12-21-18(15)24-14-8-3-2-4-9-14/h2-12H,1H3
InChIKeyZWCLOFDTCJDWEF-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.35
Rot. Bonds3

About 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one

5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one (PubChem CID 2812522) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
PubChem CID2812522
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3Oc3ccccc3)oc(=O)c12
InChIInChI=1S/C20H14N2O3/c1-13-7-5-11-16-17(13)20(23)25-19(22-16)15-10-6-12-21-18(15)24-14-8-3-2-4-9-14/h2-12H,1H3
InChIKeyZWCLOFDTCJDWEF-UHFFFAOYSA-N
XLogP4.35
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one (CID 2812522) is 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3cccnc3Oc3ccccc3)oc(=O)c12.
What is the InChIKey of 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The InChIKey is ZWCLOFDTCJDWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-13-7-5-11-16-17(13)20(23)25-19(22-16)15-10-6-12-21-18(15)24-14-8-3-2-4-9-14/h2-12H,1H3.
What are the key properties of 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one has a molecular weight of 330.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 2812522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).