4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one

C22H20N2O3 — CID 126572975

IUPAC4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one
SMILESCc1cc(-c2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C22H20N2O3/c1-15-10-18(13-23(2)22(15)26)17-8-9-19-20(11-17)27-14-21(25)24(19)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3
InChIKeyUJNHGFCMJANZEM-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.29
Rot. Bonds3

About 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one

4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one (PubChem CID 126572975) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one
PubChem CID126572975
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one
SMILESCc1cc(-c2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C22H20N2O3/c1-15-10-18(13-23(2)22(15)26)17-8-9-19-20(11-17)27-14-21(25)24(19)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3
InChIKeyUJNHGFCMJANZEM-UHFFFAOYSA-N
XLogP3.29
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one (CID 126572975) is 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one is Cc1cc(-c2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cn(C)c1=O.
What is the InChIKey of 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one?
The InChIKey is UJNHGFCMJANZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-15-10-18(13-23(2)22(15)26)17-8-9-19-20(11-17)27-14-21(25)24(19)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3.
What are the key properties of 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one?
4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one has a molecular weight of 360.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 126572975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).