2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one

C18H13Cl2NO4 — CID 2905734

IUPAC2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one
SMILESCOc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1OC
InChIInChI=1S/C18H13Cl2NO4/c1-23-15-6-3-10(7-16(15)24-2)14-9-17(22)25-18(21-14)12-5-4-11(19)8-13(12)20/h3-9H,1-2H3
InChIKeyKUHPELQSBNETPI-UHFFFAOYSA-N
MW378.21 g/mol
LogP4.69
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one

2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one (PubChem CID 2905734) has the molecular formula C18H13Cl2NO4 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one
PubChem CID2905734
Molecular FormulaC18H13Cl2NO4
Molecular Weight378.21 g/mol
Exact Mass377.02
IUPAC Name2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one
SMILESCOc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1OC
InChIInChI=1S/C18H13Cl2NO4/c1-23-15-6-3-10(7-16(15)24-2)14-9-17(22)25-18(21-14)12-5-4-11(19)8-13(12)20/h3-9H,1-2H3
InChIKeyKUHPELQSBNETPI-UHFFFAOYSA-N
XLogP4.69
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one (CID 2905734) is 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one is COc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1OC.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one?
The InChIKey is KUHPELQSBNETPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4/c1-23-15-6-3-10(7-16(15)24-2)14-9-17(22)25-18(21-14)12-5-4-11(19)8-13(12)20/h3-9H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one?
2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one has a molecular weight of 378.21 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 2905734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).