1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione

C14H15ClN2O4 — CID 115946400

IUPAC1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN2O4/c1-3-4-9-12(18)16-14(20)17(13(9)19)8-5-6-11(21-2)10(15)7-8/h5-7,9H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyVRFWCPLEBYMPQK-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115946400) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115946400
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN2O4/c1-3-4-9-12(18)16-14(20)17(13(9)19)8-5-6-11(21-2)10(15)7-8/h5-7,9H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyVRFWCPLEBYMPQK-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945885
1-(3,4-difluorophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945757
1-(4-bromo-3-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946331
1-(4-bromophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598679
methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 166233884
1-(3-chloro-5-fluorophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 107371233
1-(3-chloro-4-methoxyphenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115946399
1-(3-chloro-2-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946218
(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1273424
(5R)-5-butyl-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2200485
4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-3-methoxybenzonitrile
CID 104850258
6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78305400

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115946400) is 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(c2ccc(OC)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VRFWCPLEBYMPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-3-4-9-12(18)16-14(20)17(13(9)19)8-5-6-11(21-2)10(15)7-8/h5-7,9H,3-4H2,1-2H3,(H,16,18,20).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 310.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).