6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one

C26H20N2O3 — CID 1216303

IUPAC6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1
InChIInChI=1S/C26H20N2O3/c1-30-21-10-7-17(8-11-21)20-14-22(18-5-3-2-4-6-18)27-23(15-20)19-9-12-25-24(13-19)28-26(29)16-31-25/h2-15H,16H2,1H3,(H,28,29)
InChIKeyJOFXRISGWOGNFQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.42
Rot. Bonds4

About 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one

6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one (PubChem CID 1216303) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one
PubChem CID1216303
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1
InChIInChI=1S/C26H20N2O3/c1-30-21-10-7-17(8-11-21)20-14-22(18-5-3-2-4-6-18)27-23(15-20)19-9-12-25-24(13-19)28-26(29)16-31-25/h2-15H,16H2,1H3,(H,28,29)
InChIKeyJOFXRISGWOGNFQ-UHFFFAOYSA-N
XLogP5.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one (CID 1216303) is 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one is COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JOFXRISGWOGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-30-21-10-7-17(8-11-21)20-14-22(18-5-3-2-4-6-18)27-23(15-20)19-9-12-25-24(13-19)28-26(29)16-31-25/h2-15H,16H2,1H3,(H,28,29).
What are the key properties of 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one?
6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 408.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 1216303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).