5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C23H23N3O3 — CID 3793513

IUPAC5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C23H23N3O3/c1-24-21(27)19(22(28)25(2)23(24)29)14-17-10-11-20-18(13-17)9-6-12-26(20)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3
InChIKeyGSCYSGCUQPNPEU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.07
Rot. Bonds3

About 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 3793513) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID3793513
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C23H23N3O3/c1-24-21(27)19(22(28)25(2)23(24)29)14-17-10-11-20-18(13-17)9-6-12-26(20)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3
InChIKeyGSCYSGCUQPNPEU-UHFFFAOYSA-N
XLogP3.07
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.07
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': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 3642396
2-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]propanedinitrile
CID 54183968
5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 1399805
1,3-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2261786
(4Z)-5-(methylperoxyamino)-4-[[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]-2-phenylpyrazol-3-one
CID 89293384
5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3715102
1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol
CID 160670575
6-ethenyl-1-ethyl-3,4-dihydro-2H-quinoline
CID 170444076
5-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1304574
1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 91010817
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 4639445

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 3793513) is 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is GSCYSGCUQPNPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-24-21(27)19(22(28)25(2)23(24)29)14-17-10-11-20-18(13-17)9-6-12-26(20)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12,15H2,1-2H3.
What are the key properties of 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 389.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3793513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).