2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one

C18H15IN2O2 — CID 1346375

IUPAC2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one
SMILESCN(C)c1ccc(-c2nc(-c3cccc(I)c3)cc(=O)o2)cc1
InChIInChI=1S/C18H15IN2O2/c1-21(2)15-8-6-12(7-9-15)18-20-16(11-17(22)23-18)13-4-3-5-14(19)10-13/h3-11H,1-2H3
InChIKeyKDNBVBCYIJNFNA-UHFFFAOYSA-N
MW418.23 g/mol
LogP4.04
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one

2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one (PubChem CID 1346375) has the molecular formula C18H15IN2O2 and a molecular weight of 418.23 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one
PubChem CID1346375
Molecular FormulaC18H15IN2O2
Molecular Weight418.23 g/mol
Exact Mass418.02
IUPAC Name2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one
SMILESCN(C)c1ccc(-c2nc(-c3cccc(I)c3)cc(=O)o2)cc1
InChIInChI=1S/C18H15IN2O2/c1-21(2)15-8-6-12(7-9-15)18-20-16(11-17(22)23-18)13-4-3-5-14(19)10-13/h3-11H,1-2H3
InChIKeyKDNBVBCYIJNFNA-UHFFFAOYSA-N
XLogP4.04
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one (CID 1346375) is 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one is CN(C)c1ccc(-c2nc(-c3cccc(I)c3)cc(=O)o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one?
The InChIKey is KDNBVBCYIJNFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O2/c1-21(2)15-8-6-12(7-9-15)18-20-16(11-17(22)23-18)13-4-3-5-14(19)10-13/h3-11H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one?
2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one has a molecular weight of 418.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-(3-iodophenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 1346375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).