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

C19H12N2O3 — CID 45273548

IUPAC2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccnc2Oc2ccccc2)nc2ccccc12
InChIInChI=1S/C19H12N2O3/c22-19-14-9-4-5-11-16(14)21-18(24-19)15-10-6-12-20-17(15)23-13-7-2-1-3-8-13/h1-12H
InChIKeyPWJAZYUTCWYUIB-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.04
Rot. Bonds3

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

2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one (PubChem CID 45273548) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
PubChem CID45273548
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccnc2Oc2ccccc2)nc2ccccc12
InChIInChI=1S/C19H12N2O3/c22-19-14-9-4-5-11-16(14)21-18(24-19)15-10-6-12-20-17(15)23-13-7-2-1-3-8-13/h1-12H
InChIKeyPWJAZYUTCWYUIB-UHFFFAOYSA-N
XLogP4.04
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one (CID 45273548) is 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one is O=c1oc(-c2cccnc2Oc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
The InChIKey is PWJAZYUTCWYUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-19-14-9-4-5-11-16(14)21-18(24-19)15-10-6-12-20-17(15)23-13-7-2-1-3-8-13/h1-12H.
What are the key properties of 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one?
2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one has a molecular weight of 316.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxy-3-pyridinyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 45273548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).