2-(4-phenoxyanilino)-3,1-benzoxazin-4-one

C20H14N2O3 — CID 18762620

IUPAC2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C20H14N2O3/c23-19-17-8-4-5-9-18(17)22-20(25-19)21-14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,(H,21,22)
InChIKeyHKFRGWMWWWWFHQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one

2-(4-phenoxyanilino)-3,1-benzoxazin-4-one (PubChem CID 18762620) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
PubChem CID18762620
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-(4-phenoxyanilino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C20H14N2O3/c23-19-17-8-4-5-9-18(17)22-20(25-19)21-14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,(H,21,22)
InChIKeyHKFRGWMWWWWFHQ-UHFFFAOYSA-N
XLogP4.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one (CID 18762620) is 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one is O=c1oc(Nc2ccc(Oc3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one?
The InChIKey is HKFRGWMWWWWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-19-17-8-4-5-9-18(17)22-20(25-19)21-14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,(H,21,22).
What are the key properties of 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one?
2-(4-phenoxyanilino)-3,1-benzoxazin-4-one has a molecular weight of 330.34 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyanilino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 18762620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).