1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

C24H23N3O3 — CID 3475729

IUPAC1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1cccc(Cn2c(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1
InChIInChI=1S/C24H23N3O3/c1-15-8-7-9-17(12-15)14-27-16(2)19(18-10-5-6-11-21(18)27)13-20-22(28)25(3)24(30)26(4)23(20)29/h5-13H,14H2,1-4H3
InChIKeyASICKACYTHNSMG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.74
Rot. Bonds3

About 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 3475729) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID3475729
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1cccc(Cn2c(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1
InChIInChI=1S/C24H23N3O3/c1-15-8-7-9-17(12-15)14-27-16(2)19(18-10-5-6-11-21(18)27)13-20-22(28)25(3)24(30)26(4)23(20)29/h5-13H,14H2,1-4H3
InChIKeyASICKACYTHNSMG-UHFFFAOYSA-N
XLogP3.74
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 3475729) is 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is Cc1cccc(Cn2c(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1.
What is the InChIKey of 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is ASICKACYTHNSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-8-7-9-17(12-15)14-27-16(2)19(18-10-5-6-11-21(18)27)13-20-22(28)25(3)24(30)26(4)23(20)29/h5-13H,14H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 401.47 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3475729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).