5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione

C17H14FN3O3 — CID 2920261

IUPAC5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C17H14FN3O3/c18-9-6-4-8(5-7-9)12-13-10(2-1-3-11(13)22)19-15-14(12)16(23)21-17(24)20-15/h4-7,12H,1-3H2,(H3,19,20,21,23,24)
InChIKeyUDMNZPHEFDOJIY-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.77
Rot. Bonds1

About 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione

5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 2920261) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID2920261
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C17H14FN3O3/c18-9-6-4-8(5-7-9)12-13-10(2-1-3-11(13)22)19-15-14(12)16(23)21-17(24)20-15/h4-7,12H,1-3H2,(H3,19,20,21,23,24)
InChIKeyUDMNZPHEFDOJIY-UHFFFAOYSA-N
XLogP1.77
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-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 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione (CID 2920261) is 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione is O=C1CCCC2=C1C(c1ccc(F)cc1)c1c([nH]c(=O)[nH]c1=O)N2.
What is the InChIKey of 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is UDMNZPHEFDOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-9-6-4-8(5-7-9)12-13-10(2-1-3-11(13)22)19-15-14(12)16(23)21-17(24)20-15/h4-7,12H,1-3H2,(H3,19,20,21,23,24).
What are the key properties of 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 327.31 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 2920261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).