1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

C19H25ClN4O3 — CID 7461677

IUPAC1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCC/N=C(\C)C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H25ClN4O3/c1-4-23(5-2)12-6-11-21-13(3)16-17(25)22-19(27)24(18(16)26)15-9-7-14(20)8-10-15/h7-10,16H,4-6,11-12H2,1-3H3,(H,22,25,27)/b21-13+
InChIKeyXZFNGSOJFYLSDE-FYJGNVAPSA-N
MW392.89 g/mol
LogP2.73
Rot. Bonds8

About 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461677) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461677
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCC/N=C(\C)C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H25ClN4O3/c1-4-23(5-2)12-6-11-21-13(3)16-17(25)22-19(27)24(18(16)26)15-9-7-14(20)8-10-15/h7-10,16H,4-6,11-12H2,1-3H3,(H,22,25,27)/b21-13+
InChIKeyXZFNGSOJFYLSDE-FYJGNVAPSA-N
XLogP2.73
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461677) is 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is CCN(CC)CCC/N=C(\C)C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is XZFNGSOJFYLSDE-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-4-23(5-2)12-6-11-21-13(3)16-17(25)22-19(27)24(18(16)26)15-9-7-14(20)8-10-15/h7-10,16H,4-6,11-12H2,1-3H3,(H,22,25,27)/b21-13+.
What are the key properties of 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 392.89 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).