5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one

C12H11ClN2O2 — CID 143847820

IUPAC5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one
SMILESCc1ccc(Nc2nc(Cl)c(C)oc2=O)cc1
InChIInChI=1S/C12H11ClN2O2/c1-7-3-5-9(6-4-7)14-11-12(16)17-8(2)10(13)15-11/h3-6H,1-2H3,(H,14,15)
InChIKeySWESWOVCTORLBT-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.05
Rot. Bonds2

About 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one

5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one (PubChem CID 143847820) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one
PubChem CID143847820
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one
SMILESCc1ccc(Nc2nc(Cl)c(C)oc2=O)cc1
InChIInChI=1S/C12H11ClN2O2/c1-7-3-5-9(6-4-7)14-11-12(16)17-8(2)10(13)15-11/h3-6H,1-2H3,(H,14,15)
InChIKeySWESWOVCTORLBT-UHFFFAOYSA-N
XLogP3.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one?
The IUPAC name of 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one (CID 143847820) is 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one is Cc1ccc(Nc2nc(Cl)c(C)oc2=O)cc1.
What is the InChIKey of 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one?
The InChIKey is SWESWOVCTORLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-3-5-9(6-4-7)14-11-12(16)17-8(2)10(13)15-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one?
5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one has a molecular weight of 250.69 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-3-(4-methylanilino)-1,4-oxazin-2-one is sourced from PubChem (CID 143847820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).