(5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

C25H26FN3O3 — CID 50858799

IUPAC(5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3F)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C25H26FN3O3/c1-14-10-21-17(15(2)13-25(3,4)28(21)5)11-16(14)12-18-22(30)27-24(32)29(23(18)31)20-9-7-6-8-19(20)26/h6-12,15H,13H2,1-5H3,(H,27,30,32)/b18-12-
InChIKeyMAFNQIMMLWWGON-PDGQHHTCSA-N
MW435.50 g/mol
LogP4.52
Rot. Bonds2

About (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

(5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 50858799) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID50858799
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3F)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C25H26FN3O3/c1-14-10-21-17(15(2)13-25(3,4)28(21)5)11-16(14)12-18-22(30)27-24(32)29(23(18)31)20-9-7-6-8-19(20)26/h6-12,15H,13H2,1-5H3,(H,27,30,32)/b18-12-
InChIKeyMAFNQIMMLWWGON-PDGQHHTCSA-N
XLogP4.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 50858799) is (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione is Cc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3F)C1=O)C(C)CC(C)(C)N2C.
What is the InChIKey of (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is MAFNQIMMLWWGON-PDGQHHTCSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-14-10-21-17(15(2)13-25(3,4)28(21)5)11-16(14)12-18-22(30)27-24(32)29(23(18)31)20-9-7-6-8-19(20)26/h6-12,15H,13H2,1-5H3,(H,27,30,32)/b18-12-.
What are the key properties of (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 435.50 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-(2-fluorophenyl)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 50858799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).