1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one

C12H15ClN2O3 — CID 113296301

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1cc(N2CCCNC2=O)c(OC)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-17-10-7-9(11(18-2)6-8(10)13)15-5-3-4-14-12(15)16/h6-7H,3-5H2,1-2H3,(H,14,16)
InChIKeyOSZNCGRDOGUPPQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one

1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one (PubChem CID 113296301) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
PubChem CID113296301
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1cc(N2CCCNC2=O)c(OC)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-17-10-7-9(11(18-2)6-8(10)13)15-5-3-4-14-12(15)16/h6-7H,3-5H2,1-2H3,(H,14,16)
InChIKeyOSZNCGRDOGUPPQ-UHFFFAOYSA-N
XLogP2.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
CID 107623725
1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
CID 115370857
9-(4-chloro-2,5-dimethoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714291
1-[2-[6-[chloro(difluoro)methyl]-4-(2,6-dichlorophenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonyl]-6-methoxy-1,3-dihydroisoindol-5-yl]-1,3-diazinan-2-one
CID 177238646
(1S,2S,6S,7R)-4-(4-chloro-2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541716
1-(5-chloro-2,4-dimethoxyphenyl)pyrrolidine-2,4-dione
CID 79517267
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79778169
4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one
CID 117005147
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 163312739
1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 107590497
1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
CID 155170069

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one (CID 113296301) is 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one is COc1cc(N2CCCNC2=O)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is OSZNCGRDOGUPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-17-10-7-9(11(18-2)6-8(10)13)15-5-3-4-14-12(15)16/h6-7H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one?
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 270.72 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 113296301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).