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

C17H14FN3O3 — CID 7161091

IUPAC(5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESO=C1CCCC2=C1[C@@H](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)/t12-/m1/s1
InChIKeyUDMNZPHEFDOJIY-GFCCVEGCSA-N
MW327.31 g/mol
LogP1.77
Rot. Bonds1

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

(5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 7161091) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID7161091
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name(5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESO=C1CCCC2=C1[C@@H](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)/t12-/m1/s1
InChIKeyUDMNZPHEFDOJIY-GFCCVEGCSA-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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione (CID 7161091) is (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione is O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c([nH]c(=O)[nH]c1=O)N2.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is UDMNZPHEFDOJIY-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione?
(5R)-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 (5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 7161091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).