3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one

C12H9Cl2NO4 — CID 45118060

IUPAC3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
SMILESCOc1ccc(-c2oc(=O)c(Cl)nc2Cl)cc1OC
InChIInChI=1S/C12H9Cl2NO4/c1-17-7-4-3-6(5-8(7)18-2)9-10(13)15-11(14)12(16)19-9/h3-5H,1-2H3
InChIKeyNIDKULRBXVNXPB-UHFFFAOYSA-N
MW302.11 g/mol
LogP3.03
Rot. Bonds3

About 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one

3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one (PubChem CID 45118060) has the molecular formula C12H9Cl2NO4 and a molecular weight of 302.11 g/mol. Its IUPAC name is 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
PubChem CID45118060
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
SMILESCOc1ccc(-c2oc(=O)c(Cl)nc2Cl)cc1OC
InChIInChI=1S/C12H9Cl2NO4/c1-17-7-4-3-6(5-8(7)18-2)9-10(13)15-11(14)12(16)19-9/h3-5H,1-2H3
InChIKeyNIDKULRBXVNXPB-UHFFFAOYSA-N
XLogP3.03
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
CID 164684649
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one
CID 2905734
3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
CID 101459550
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
2-[4,5-bis(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetaldehyde
CID 88826309
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861722
6,8-dichloro-3-(3,4-dimethoxyphenyl)-4-methylchromen-2-one
CID 1267930
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one?
The IUPAC name of 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one (CID 45118060) is 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one?
The canonical SMILES for 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one is COc1ccc(-c2oc(=O)c(Cl)nc2Cl)cc1OC.
What is the InChIKey of 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one?
The InChIKey is NIDKULRBXVNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4/c1-17-7-4-3-6(5-8(7)18-2)9-10(13)15-11(14)12(16)19-9/h3-5H,1-2H3.
What are the key properties of 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one?
3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one has a molecular weight of 302.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one is sourced from PubChem (CID 45118060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).