3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one

C22H18Cl2N4O4 — CID 66846643

IUPAC3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Nc2ccccc2)nc1Cl.Cc1oc(=O)c(Nc2ccccc2)nc1Cl
InChIInChI=1S/2C11H9ClN2O2/c2*1-7-9(12)14-10(11(15)16-7)13-8-5-3-2-4-6-8/h2*2-6H,1H3,(H,13,14)
InChIKeyFQIZADCOQGYGPQ-UHFFFAOYSA-N
MW473.32 g/mol
LogP5.48
Rot. Bonds4

About 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one

3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one (PubChem CID 66846643) has the molecular formula C22H18Cl2N4O4 and a molecular weight of 473.32 g/mol. Its IUPAC name is 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one
PubChem CID66846643
Molecular FormulaC22H18Cl2N4O4
Molecular Weight473.32 g/mol
Exact Mass472.07
IUPAC Name3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Nc2ccccc2)nc1Cl.Cc1oc(=O)c(Nc2ccccc2)nc1Cl
InChIInChI=1S/2C11H9ClN2O2/c2*1-7-9(12)14-10(11(15)16-7)13-8-5-3-2-4-6-8/h2*2-6H,1H3,(H,13,14)
InChIKeyFQIZADCOQGYGPQ-UHFFFAOYSA-N
XLogP5.48
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.32
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
CID 11401775
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 118870853
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
CID 95561624
3,6-dimethyl-N-phenylpyrazin-2-amine
CID 518389
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464

Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one?
The IUPAC name of 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one (CID 66846643) is 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one.
What is the SMILES notation for 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one?
The canonical SMILES for 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one is Cc1oc(=O)c(Nc2ccccc2)nc1Cl.Cc1oc(=O)c(Nc2ccccc2)nc1Cl.
What is the InChIKey of 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one?
The InChIKey is FQIZADCOQGYGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9ClN2O2/c2*1-7-9(12)14-10(11(15)16-7)13-8-5-3-2-4-6-8/h2*2-6H,1H3,(H,13,14).
What are the key properties of 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one?
3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one has a molecular weight of 473.32 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-chloro-6-methyl-1,4-oxazin-2-one is sourced from PubChem (CID 66846643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).