8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

C17H10F2N4O2 — CID 6884054

IUPAC8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESO=c1[nH]c2c([nH]c3ccc(F)cc32)c(=O)n1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H10F2N4O2/c18-10-3-1-9(2-4-10)8-20-23-16(24)15-14(22-17(23)25)12-7-11(19)5-6-13(12)21-15/h1-8,21H,(H,22,25)/b20-8+
InChIKeyVDKJCZUVPJTUQD-DNTJNYDQSA-N
MW340.29 g/mol
LogP2.33
Rot. Bonds2

About 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (PubChem CID 6884054) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.

Molecular Properties

Compound Name8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
PubChem CID6884054
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC Name8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESO=c1[nH]c2c([nH]c3ccc(F)cc32)c(=O)n1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H10F2N4O2/c18-10-3-1-9(2-4-10)8-20-23-16(24)15-14(22-17(23)25)12-7-11(19)5-6-13(12)21-15/h1-8,21H,(H,22,25)/b20-8+
InChIKeyVDKJCZUVPJTUQD-DNTJNYDQSA-N
XLogP2.33
TPSA83.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione 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 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The IUPAC name of 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CID 6884054) is 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
What is the SMILES notation for 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The canonical SMILES for 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is O=c1[nH]c2c([nH]c3ccc(F)cc32)c(=O)n1/N=C/c1ccc(F)cc1.
What is the InChIKey of 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The InChIKey is VDKJCZUVPJTUQD-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-10-3-1-9(2-4-10)8-20-23-16(24)15-14(22-17(23)25)12-7-11(19)5-6-13(12)21-15/h1-8,21H,(H,22,25)/b20-8+.
What are the key properties of 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione has a molecular weight of 340.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[(E)-(4-fluorophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is sourced from PubChem (CID 6884054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).